methyl 4-[[methyl-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[methyl-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[1-[(E)-styryl]sulfonylisonipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S/c1-25(18-20-8-10-22(11-9-20)24(28)31-2)23(27)21-12-15-26(16-13-21)32(29,30)17-14-19-6-4-3-5-7-19/h3-11,14,17,21H,12-13,15-16,18H2,1-2H3/b17-14+