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

Systemtic Name: methyl 4-methyl-2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]pentanoate CAS Name: 4-methyl-2-[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]pentanoate Traditional Name: 4-methyl-2-[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]valeric acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5S/c1-16(2)15-19(21(25)28-3)22-20(24)18-9-12-23(13-10-18)29(26,27)14-11-17-7-5-4-6-8-17/h4-8,11,14,16,18-19H,9-10,12-13,15H2,1-3H3,(H,22,24)/b14-11+