6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(p-tolylsulfonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[(4-methylphenyl)sulfonylamino]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(tosylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C21H22N2O5S/c1-14-6-12-17(13-7-14)29(27,28)23-16-10-8-15(9-11-16)22-20(24)18-4-2-3-5-19(18)21(25)26/h2-3,6-13,18-19,23H,4-5H2,1H3,(H,22,24)(H,25,26)