(1R,6R)-6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[[4-(p-tolylsulfonylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[[4-[(4-methylphenyl)sulfonylamino]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[[4-(tosylamino)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H21N2O5S- MolecularWeight: 413.46684

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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)[C@@H]3CC=CC[C@H]3C(=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)/p-1/t18-,19-/m1/s1