(1R,6S)-6-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[5-(dimethylsulfamoyl)-2-methylanilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[5-(dimethylsulfamoyl)-2-methylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[5-(dimethylsulfamoyl)-2-methyl-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H21N2O5S- MolecularWeight: 365.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-]

InChI

InChI=1S/C17H22N2O5S/c1-11-8-9-12(25(23,24)19(2)3)10-15(11)18-16(20)13-6-4-5-7-14(13)17(21)22/h4-5,8-10,13-14H,6-7H2,1-3H3,(H,18,20)(H,21,22)/p-1/t13-,14+/m0/s1