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

Systemtic Name: N-methyl-4-oxidanylidene-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-methyl-4-oxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-methyl-4-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H20N4O3S2/c1-23(13-15-12-21-24(14-15)16-5-3-2-4-6-16)29(26,27)17-7-8-19-18(11-17)22-20(25)9-10-28-19/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,25)