4-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide

Systemtic Name: 4-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Openeye Name: 4-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide CAS Name: 4-[[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Traditional Name: 4-[(4-m-toluoyl-1,4-diazepan-1-yl)sulfonyl]benzenesulfonamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S2/c1-15-4-2-5-16(14-15)19(23)21-10-3-11-22(13-12-21)29(26,27)18-8-6-17(7-9-18)28(20,24)25/h2,4-9,14H,3,10-13H2,1H3,(H2,20,24,25)