N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(p-tolylmethyl)-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(4-methylbenzyl)-4-tosyl-1,4-diazepane-1-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-17-4-8-19(9-5-17)16-22-21(25)23-12-3-13-24(15-14-23)28(26,27)20-10-6-18(2)7-11-20/h4-11H,3,12-16H2,1-2H3,(H,22,25)