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

Systemtic Name: N,N-dimethyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Openeye Name: N,N-dimethyl-4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-[(4-tosyl-1,4-diazepan-1-yl)sulfonyl]benzenesulfonamide Formula: C20H27N3O6S3 MolecularWeight: 501.63988

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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=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S3/c1-17-5-7-19(8-6-17)31(26,27)22-13-4-14-23(16-15-22)32(28,29)20-11-9-18(10-12-20)30(24,25)21(2)3/h5-12H,4,13-16H2,1-3H3