2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]thiophene-3-sulfonamide

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]thiophene-3-sulfonamide Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3-thiophenesulfonamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide Traditional Name: 2-(4-tosyl-1,4-diazepane-1-carbonyl)thiophene-3-sulfonamide Formula: C17H21N3O5S3 MolecularWeight: 443.56074

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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=CS3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N

InChI

InChI=1S/C17H21N3O5S3/c1-13-3-5-14(6-4-13)28(24,25)20-9-2-8-19(10-11-20)17(21)16-15(7-12-26-16)27(18,22)23/h3-7,12H,2,8-11H2,1H3,(H2,18,22,23)