1-[5-methylsulfonyl-4-[4-(phenylmethyl)piperidin-1-yl]-2-(2-pyrrolidin-1-ylethylamino)phenyl]hexan-1-one

Systemtic Name: 1-[5-methylsulfonyl-4-[4-(phenylmethyl)piperidin-1-yl]-2-(2-pyrrolidin-1-ylethylamino)phenyl]hexan-1-one Openeye Name: 1-[4-(4-benzyl-1-piperidyl)-5-methylsulfonyl-2-(2-pyrrolidin-1-ylethylamino)phenyl]hexan-1-one CAS Name: 1-[5-methylsulfonyl-4-[4-(phenylmethyl)-1-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylamino]phenyl]-1-hexanone IUPAC Name: 1-[4-(4-benzylpiperidin-1-yl)-5-methylsulfonyl-2-(2-pyrrolidin-1-ylethylamino)phenyl]hexan-1-one Traditional Name: 1-[4-(4-benzylpiperidino)-5-mesyl-2-(2-pyrrolidinoethylamino)phenyl]hexan-1-one Formula: C31H45N3O3S MolecularWeight: 539.7723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C=C1NCCN2CCCC2)N3CCC(CC3)CC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C=C1NCCN2CCCC2)N3CCC(CC3)CC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C31H45N3O3S/c1-3-4-6-13-30(35)27-23-31(38(2,36)37)29(24-28(27)32-16-21-33-17-9-10-18-33)34-19-14-26(15-20-34)22-25-11-7-5-8-12-25/h5,7-8,11-12,23-24,26,32H,3-4,6,9-10,13-22H2,1-2H3