3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid CAS Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid Formula: C16H15NO4S2 MolecularWeight: 349.4246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H15NO4S2/c18-16(19)12-5-3-6-13(11-12)23(20,21)17-9-4-10-22-15-8-2-1-7-14(15)17/h1-3,5-8,11H,4,9-10H2,(H,18,19)