4-cyano-N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-N-methyl-benzenesulfonamide

Systemtic Name: 4-cyano-N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-N-methyl-benzenesulfonamide Openeye Name: 4-cyano-N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]-N-methyl-benzenesulfonamide CAS Name: 4-cyano-N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-N-methylbenzenesulfonamide IUPAC Name: 4-cyano-N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-N-methylbenzenesulfonamide Traditional Name: 4-cyano-N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-keto-ethyl]-N-methyl-benzenesulfonamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCCSC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC(=O)N1CCCSC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H19N3O3S2/c1-21(27(24,25)16-9-7-15(13-20)8-10-16)14-19(23)22-11-4-12-26-18-6-3-2-5-17(18)22/h2-3,5-10H,4,11-12,14H2,1H3