2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: N-(4-pyrrolidinophenyl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C24H32N4O3S/c1-20-5-11-23(12-6-20)32(30,31)28-16-4-13-26(17-18-28)19-24(29)25-21-7-9-22(10-8-21)27-14-2-3-15-27/h5-12H,2-4,13-19H2,1H3,(H,25,29)