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

Systemtic Name: 4-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: 4-methoxy-3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: 4-methoxy-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: 4-methoxy-3-(4-tosyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S2/c1-15-4-6-16(7-5-15)31(27,28)23-11-3-10-22(12-13-23)20(24)18-14-17(30(21,25)26)8-9-19(18)29-2/h4-9,14H,3,10-13H2,1-2H3,(H2,21,25,26)