phenyl 4-(4-ethoxy-2-methyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-ethoxy-2-methyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-ethoxy-2-methyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-ethoxy-2-methylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-ethoxy-2-methylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-ethoxy-2-methyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C19H24N2O4S/c1-3-24-17-9-10-18(15(2)13-17)21-12-11-20-19(14-21)26(22,23)25-16-7-5-4-6-8-16/h4-10,13,19-20H,3,11-12,14H2,1-2H3