methyl 1-[4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[[(E)-3-(m-tolyl)prop-2-enoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[(E)-3-(m-tolyl)acryloyl]amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-17-5-3-6-18(15-17)8-13-22(26)24-20-9-11-21(12-10-20)31(28,29)25-14-4-7-19(16-25)23(27)30-2/h3,5-6,8-13,15,19H,4,7,14,16H2,1-2H3,(H,24,26)/b13-8+