N-(3-methoxypropyl)-5-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-2-(2-pyrrolidin-1-ylethylamino)benzamide

Systemtic Name: N-(3-methoxypropyl)-5-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-2-(2-pyrrolidin-1-ylethylamino)benzamide Openeye Name: N-(3-methoxypropyl)-5-methylsulfonyl-4-(4-phenyl-1-piperidyl)-2-(2-pyrrolidin-1-ylethylamino)benzamide CAS Name: N-(3-methoxypropyl)-5-methylsulfonyl-4-(4-phenyl-1-piperidinyl)-2-[2-(1-pyrrolidinyl)ethylamino]benzamide IUPAC Name: N-(3-methoxypropyl)-5-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-2-(2-pyrrolidin-1-ylethylamino)benzamide Traditional Name: 5-mesyl-N-(3-methoxypropyl)-4-(4-phenylpiperidino)-2-(2-pyrrolidinoethylamino)benzamide Formula: C29H42N4O4S MolecularWeight: 542.73318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O4S/c1-37-20-8-13-31-29(34)25-21-28(38(2,35)36)27(22-26(25)30-14-19-32-15-6-7-16-32)33-17-11-24(12-18-33)23-9-4-3-5-10-23/h3-5,9-10,21-22,24,30H,6-8,11-20H2,1-2H3,(H,31,34)