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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4-methyl-benzoic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4-methyl-benzoic acid CAS Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4-methylbenzoic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4-methylbenzoic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4-methyl-benzoic acid Formula: C17H17NO4S2 MolecularWeight: 363.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C17H17NO4S2/c1-12-7-8-13(17(19)20)11-16(12)24(21,22)18-9-4-10-23-15-6-3-2-5-14(15)18/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,20)