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

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline hydrochloride Openeye Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline hydrochloride CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline hydrochloride IUPAC Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline hydrochloride Traditional Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinoline hydrochloride Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2.Cl

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2.Cl

InChI

InChI=1S/C14H17N3O2S.ClH/c1-10-14(11(2)16-15-10)20(18,19)17-8-7-12-5-3-4-6-13(12)9-17;/h3-6H,7-9H2,1-2H3,(H,15,16);1H