(1S,6S)-6-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[[4-(4-methylpiperidino)sulfonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C20H26N2O5S/c1-14-10-12-22(13-11-14)28(26,27)16-8-6-15(7-9-16)21-19(23)17-4-2-3-5-18(17)20(24)25/h2-3,6-9,14,17-18H,4-5,10-13H2,1H3,(H,21,23)(H,24,25)/t17-,18-/m0/s1