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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid Openeye Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid CAS Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid Traditional Name: 4-(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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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