N-(5-chloranylpyridin-2-yl)-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(5-chloro-2-pyridyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(5-chloro-2-pyridinyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(5-chloropyridin-2-yl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(5-chloro-2-pyridyl)-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C15H14ClN3O3S2 MolecularWeight: 383.87296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=C(C=C3)Cl)NC1=O

InChI

InChI=1S/C15H14ClN3O3S2/c1-9-8-23-13-4-3-11(6-12(13)18-15(9)20)24(21,22)19-14-5-2-10(16)7-17-14/h2-7,9H,8H2,1H3,(H,17,19)(H,18,20)