6-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-methyl-3-(1-piperidinylsulfonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(4-methyl-3-piperidinosulfonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC=CCC2C(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H26N2O5S/c1-14-9-10-15(13-18(14)28(26,27)22-11-5-2-6-12-22)21-19(23)16-7-3-4-8-17(16)20(24)25/h3-4,9-10,13,16-17H,2,5-8,11-12H2,1H3,(H,21,23)(H,24,25)