butyl 4-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]benzoic acid butyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5S/c1-2-3-18-32-25(29)22-9-11-23(12-10-22)26-24(28)21-13-16-27(17-14-21)33(30,31)19-15-20-7-5-4-6-8-20/h4-12,15,19,21H,2-3,13-14,16-18H2,1H3,(H,26,28)/b19-15+