6-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide Openeye Name: 6-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide CAS Name: 6-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]-N,N-dimethyl-3-pyridinesulfonamide IUPAC Name: 6-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide Traditional Name: 6-[[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]-N,N-dimethyl-pyridine-3-sulfonamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CN(C)S(=O)(=O)C1=CN=C(C=C1)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C23H23N3O3S2/c1-25(2)31(28,29)19-13-14-22(24-15-19)30-16-23(27)26-20-9-5-3-7-17(20)11-12-18-8-4-6-10-21(18)26/h3-10,13-15H,11-12,16H2,1-2H3