2-[[3-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]-3-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]-N-methyl-N-propan-2-yl-propanamide

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]-3-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]-N-methyl-N-propan-2-yl-propanamide Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-(2-naphthylsulfonylamino)propanoyl]amino]-3-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]-N-isopropyl-N-methyl-propanamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-(2-naphthalenylsulfonylamino)-1-oxopropyl]amino]-3-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]-3-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-(2-naphthylsulfonylamino)propanoyl]amino]-3-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]-N-isopropyl-N-methyl-propionamide Formula: C41H50N4O6S MolecularWeight: 726.9239

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)CC(C(=O)N(C)C(C)C)NC(=O)CC(C2=CC3=C(C=C2)OCO3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C6CCCC6

Isomeric SMILES

CCN(CC1=CC=C(C=C1)CC(C(=O)N(C)C(C)C)NC(=O)CC(C2=CC3=C(C=C2)OCO3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)C6CCCC6

InChI

InChI=1S/C41H50N4O6S/c1-5-45(34-12-8-9-13-34)26-30-16-14-29(15-17-30)22-37(41(47)44(4)28(2)3)42-40(46)25-36(33-19-21-38-39(24-33)51-27-50-38)43-52(48,49)35-20-18-31-10-6-7-11-32(31)23-35/h6-7,10-11,14-21,23-24,28,34,36-37,43H,5,8-9,12-13,22,25-27H2,1-4H3,(H,42,46)