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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCSC3=CC=CC=C32

InChI

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