4-chloranyl-N-[dimethylamino(1H-pyrrol-2-yl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[dimethylamino(1H-pyrrol-2-yl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[dimethylamino(1H-pyrrol-2-yl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[dimethylamino(1H-pyrrol-2-yl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[dimethylamino(1H-pyrrol-2-yl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-[dimethylamino(1H-pyrrol-2-yl)methyl]-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C19H25ClN4O3S MolecularWeight: 424.9448

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(C1=CC=CN1)N(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)C(C1=CC=CN1)N(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H25ClN4O3S/c1-23(2)19(16-6-5-13-21-16)24(17-7-3-4-12-22-18(17)25)28(26,27)15-10-8-14(20)9-11-15/h5-6,8-11,13,17,19,21H,3-4,7,12H2,1-2H3,(H,22,25)