methyl 4-[(E)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-(4-methylpiperidino)sulfonylphenyl]prop-1-enyl]benzoic acid methyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H25NO5S/c1-17-13-15-24(16-14-17)30(27,28)21-10-8-19(9-11-21)22(25)12-5-18-3-6-20(7-4-18)23(26)29-2/h3-12,17H,13-16H2,1-2H3/b12-5+