7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

Systemtic Name: 7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride Openeye Name: 7-thiomorpholinosulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride CAS Name: 7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride IUPAC Name: 7-thiomorpholin-4-ylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride Traditional Name: 7-thiomorpholinosulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride Formula: C14H19ClN2O4S2 MolecularWeight: 378.89466

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1S(=O)(=O)C2=CC3=C(CC(NC3)C(=O)O)C=C2.Cl

Isomeric SMILES

C1CSCCN1S(=O)(=O)C2=CC3=C(CC(NC3)C(=O)O)C=C2.Cl

InChI

InChI=1S/C14H18N2O4S2.ClH/c17-14(18)13-8-10-1-2-12(7-11(10)9-15-13)22(19,20)16-3-5-21-6-4-16;/h1-2,7,13,15H,3-6,8-9H2,(H,17,18);1H