N-butyl-2-[ethyl(2-pyrrolidin-1-ylethyl)amino]-5-[(4-methylphenyl)methylsulfonyl]-4-(4-phenylpiperidin-1-yl)benzamide

Systemtic Name: N-butyl-2-[ethyl(2-pyrrolidin-1-ylethyl)amino]-5-[(4-methylphenyl)methylsulfonyl]-4-(4-phenylpiperidin-1-yl)benzamide Openeye Name: N-butyl-2-[ethyl(2-pyrrolidin-1-ylethyl)amino]-4-(4-phenyl-1-piperidyl)-5-(p-tolylmethylsulfonyl)benzamide CAS Name: N-butyl-2-[ethyl-[2-(1-pyrrolidinyl)ethyl]amino]-5-[(4-methylphenyl)methylsulfonyl]-4-(4-phenyl-1-piperidinyl)benzamide IUPAC Name: N-butyl-2-[ethyl(2-pyrrolidin-1-ylethyl)amino]-5-[(4-methylphenyl)methylsulfonyl]-4-(4-phenylpiperidin-1-yl)benzamide Traditional Name: N-butyl-2-[ethyl(2-pyrrolidinoethyl)amino]-5-(4-methylbenzyl)sulfonyl-4-(4-phenylpiperidino)benzamide Formula: C38H52N4O3S MolecularWeight: 644.90948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1N(CC)CCN2CCCC2)N3CCC(CC3)C4=CC=CC=C4)S(=O)(=O)CC5=CC=C(C=C5)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1N(CC)CCN2CCCC2)N3CCC(CC3)C4=CC=CC=C4)S(=O)(=O)CC5=CC=C(C=C5)C

InChI

InChI=1S/C38H52N4O3S/c1-4-6-20-39-38(43)34-27-37(46(44,45)29-31-16-14-30(3)15-17-31)36(28-35(34)41(5-2)26-25-40-21-10-11-22-40)42-23-18-33(19-24-42)32-12-8-7-9-13-32/h7-9,12-17,27-28,33H,4-6,10-11,18-26,29H2,1-3H3,(H,39,43)