[4-[(E)-3-[butyl(ethyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-[butyl(ethyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-[butyl(ethyl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-[butyl(ethyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-[butyl(ethyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-[butyl(ethyl)amino]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C(=O)C=CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CCCCN(CC)C(=O)/C=C/C1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C23H29NO5S/c1-5-7-16-24(6-2)23(25)15-11-19-10-14-21(22(17-19)28-4)29-30(26,27)20-12-8-18(3)9-13-20/h8-15,17H,5-7,16H2,1-4H3/b15-11+