methyl 1-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H30N2O5S/c1-29-21(26)22(13-6-3-7-14-22)23-20(25)19-10-15-24(16-11-19)30(27,28)17-12-18-8-4-2-5-9-18/h2,4-5,8-9,12,17,19H,3,6-7,10-11,13-16H2,1H3,(H,23,25)/b17-12+