(1R,6S)-6-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[4-methyl-3-(1-piperidinylsulfonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(4-methyl-3-piperidinosulfonyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H25N2O5S- MolecularWeight: 405.4879

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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)[C@H]2CC=CC[C@H]2C(=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)/p-1/t16-,17+/m0/s1