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

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Openeye Name: 3-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide IUPAC Name: 3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Traditional Name: 3-[(4-tosyl-1,4-diazepan-1-yl)sulfonyl]benzenesulfonamide Formula: C18H23N3O6S3 MolecularWeight: 473.58672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S3/c1-15-6-8-16(9-7-15)29(24,25)20-10-3-11-21(13-12-20)30(26,27)18-5-2-4-17(14-18)28(19,22)23/h2,4-9,14H,3,10-13H2,1H3,(H2,19,22,23)