4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-tosyl-1,4-diazepane-1-carboxamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-17-8-10-19(11-9-17)27(25,26)23-13-5-12-22(14-15-23)20(24)21-16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3,(H,21,24)