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

Systemtic Name: methyl 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoate Openeye Name: methyl 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoate Traditional Name: 3-(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=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

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

InChI

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