2-[[4-(phenylsulfonyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[[4-(phenylsulfonyl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[4-(benzenesulfonyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[[4-(benzenesulfonyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[4-(benzenesulfonyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(4-besylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C22H19NO5S2 MolecularWeight: 441.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H19NO5S2/c24-20(23-21-19(22(25)26)17-8-4-5-9-18(17)29-21)14-10-12-16(13-11-14)30(27,28)15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9H2,(H,23,24)(H,25,26)