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

Systemtic Name: N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]thiophene-2-sulfonamide Openeye Name: N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]thiophene-2-sulfonamide CAS Name: N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-2-thiophenesulfonamide IUPAC Name: N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide Traditional Name: N-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-N-methyl-thiophene-2-sulfonamide Formula: C17H20N2O3S3 MolecularWeight: 396.5473

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2O3S3/c1-13-9-10-19(14-6-3-4-7-15(14)24-13)16(20)12-18(2)25(21,22)17-8-5-11-23-17/h3-8,11,13H,9-10,12H2,1-2H3