N-(3-methoxypropyl)-5-methylsulfonyl-4-[4-(phenylmethyl)piperidin-1-yl]-2-(2-pyrrolidin-1-ylethylamino)benzamide

Systemtic Name: N-(3-methoxypropyl)-5-methylsulfonyl-4-[4-(phenylmethyl)piperidin-1-yl]-2-(2-pyrrolidin-1-ylethylamino)benzamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-(3-methoxypropyl)-5-methylsulfonyl-2-(2-pyrrolidin-1-ylethylamino)benzamide CAS Name: N-(3-methoxypropyl)-5-methylsulfonyl-4-[4-(phenylmethyl)-1-piperidinyl]-2-[2-(1-pyrrolidinyl)ethylamino]benzamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)-5-methylsulfonyl-2-(2-pyrrolidin-1-ylethylamino)benzamide Traditional Name: 4-(4-benzylpiperidino)-5-mesyl-N-(3-methoxypropyl)-2-(2-pyrrolidinoethylamino)benzamide Formula: C30H44N4O4S MolecularWeight: 556.75976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N4O4S/c1-38-20-8-13-32-30(35)26-22-29(39(2,36)37)28(23-27(26)31-14-19-33-15-6-7-16-33)34-17-11-25(12-18-34)21-24-9-4-3-5-10-24/h3-5,9-10,22-23,25,31H,6-8,11-21H2,1-2H3,(H,32,35)