3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C#N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C#N)C

InChI

InChI=1S/C18H18N2O4S2/c1-10-7-12(18(21)22)8-16(11(10)2)26(23,24)20-17-14(9-19)13-5-3-4-6-15(13)25-17/h7-8,20H,3-6H2,1-2H3,(H,21,22)