3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N,N-diethyl-2-[[3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-3-phenyl-propanoyl]amino]propanamide

Systemtic Name: 3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N,N-diethyl-2-[[3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-3-phenyl-propanoyl]amino]propanamide Openeye Name: 3-[4-[[(2S,6R)-2,6-dimethyl-1-piperidyl]methyl]phenyl]-N,N-diethyl-2-[[3-[(6-methoxy-2-naphthyl)sulfonylamino]-3-phenyl-propanoyl]amino]propanamide CAS Name: 3-[4-[[(2S,6R)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]-N,N-diethyl-2-[[3-[(6-methoxy-2-naphthalenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]propanamide IUPAC Name: 3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N,N-diethyl-2-[[3-[(6-methoxynaphthalen-2-yl)sulfonylamino]-3-phenylpropanoyl]amino]propanamide Traditional Name: 3-[4-[[(2S,6R)-2,6-dimethylpiperidino]methyl]phenyl]-N,N-diethyl-2-[[3-[(6-methoxy-2-naphthyl)sulfonylamino]-3-phenyl-propanoyl]amino]propionamide Formula: C41H52N4O5S MolecularWeight: 712.94038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(CC1=CC=C(C=C1)CN2C(CCCC2C)C)NC(=O)CC(C3=CC=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC

Isomeric SMILES

CCN(CC)C(=O)C(CC1=CC=C(C=C1)CN2[C@@H](CCC[C@@H]2C)C)NC(=O)CC(C3=CC=CC=C3)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC

InChI

InChI=1S/C41H52N4O5S/c1-6-44(7-2)41(47)39(24-31-16-18-32(19-17-31)28-45-29(3)12-11-13-30(45)4)42-40(46)27-38(33-14-9-8-10-15-33)43-51(48,49)37-23-21-34-25-36(50-5)22-20-35(34)26-37/h8-10,14-23,25-26,29-30,38-39,43H,6-7,11-13,24,27-28H2,1-5H3,(H,42,46)/t29-,30+,38?,39?