N,2-dimethyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N,2-dimethyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N,2-dimethyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N,2-dimethyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N,2-dimethyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N,2-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S2/c1-15-10-21(26)23-19-11-18(8-9-20(19)29-15)30(27,28)24(2)13-16-12-22-25(14-16)17-6-4-3-5-7-17/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,23,26)