2-(cyclopropylsulfonylamino)-N-[[4-[[1-[1-(4,6-dimethylpyrimidin-5-yl)carbonyl-4-methyl-piperidin-4-yl]piperidin-4-yl]-(phenylmethyl)amino]phenyl]methyl]propanamide

Systemtic Name: 2-(cyclopropylsulfonylamino)-N-[[4-[[1-[1-(4,6-dimethylpyrimidin-5-yl)carbonyl-4-methyl-piperidin-4-yl]piperidin-4-yl]-(phenylmethyl)amino]phenyl]methyl]propanamide Openeye Name: N-[[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]amino]phenyl]methyl]-2-(cyclopropylsulfonylamino)propanamide CAS Name: 2-(cyclopropylsulfonylamino)-N-[[4-[[1-[1-[(4,6-dimethyl-5-pyrimidinyl)-oxomethyl]-4-methyl-4-piperidinyl]-4-piperidinyl]-(phenylmethyl)amino]phenyl]methyl]propanamide IUPAC Name: N-[[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]amino]phenyl]methyl]-2-(cyclopropylsulfonylamino)propanamide Traditional Name: N-[4-[benzyl-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methyl-4-piperidyl]-4-piperidyl]amino]benzyl]-2-(cyclopropylsulfonylamino)propionamide Formula: C38H51N7O4S MolecularWeight: 701.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC=C4)C5=CC=C(C=C5)CNC(=O)C(C)NS(=O)(=O)C6CC6

Isomeric SMILES

CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(CC4=CC=CC=C4)C5=CC=C(C=C5)CNC(=O)C(C)NS(=O)(=O)C6CC6

InChI

InChI=1S/C38H51N7O4S/c1-27-35(28(2)41-26-40-27)37(47)43-22-18-38(4,19-23-43)44-20-16-33(17-21-44)45(25-31-8-6-5-7-9-31)32-12-10-30(11-13-32)24-39-36(46)29(3)42-50(48,49)34-14-15-34/h5-13,26,29,33-34,42H,14-25H2,1-4H3,(H,39,46)