5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-2H-1,5-benzothiazepine Formula: C14H17N3O2S2 MolecularWeight: 323.43368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C14H17N3O2S2/c1-10-14(11(2)16-15-10)21(18,19)17-8-5-9-20-13-7-4-3-6-12(13)17/h3-4,6-7H,5,8-9H2,1-2H3,(H,15,16)