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

Systemtic Name: N,N-dimethyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N,N-dimethyl-4-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dimethyl-4-(4-tosyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-17-5-9-20(10-6-17)31(28,29)24-14-4-13-23(15-16-24)21(25)18-7-11-19(12-8-18)30(26,27)22(2)3/h5-12H,4,13-16H2,1-3H3