4-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(p-tolylsulfonyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-[2-(pyrrolidinomethyl)benzyl]-4-tosyl-1,4-diazepane-1-carboxamide Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3CN4CCCC4

InChI

InChI=1S/C25H34N4O3S/c1-21-9-11-24(12-10-21)33(31,32)29-16-6-15-28(17-18-29)25(30)26-19-22-7-2-3-8-23(22)20-27-13-4-5-14-27/h2-3,7-12H,4-6,13-20H2,1H3,(H,26,30)