5-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[(4-chlorophenyl)sulfonyl-methyl-amino]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[(4-chlorophenyl)sulfonyl-methyl-amino]benzothiophene-2-carboxylic acid CAS Name: 5-[(4-chlorophenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[(4-chlorophenyl)sulfonyl-methylamino]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[(4-chlorophenyl)sulfonyl-methyl-amino]benzothiophene-2-carboxylic acid Formula: C16H12ClNO4S2 MolecularWeight: 381.85378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO4S2/c1-18(24(21,22)13-5-2-11(17)3-6-13)12-4-7-14-10(8-12)9-15(23-14)16(19)20/h2-9H,1H3,(H,19,20)