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

Systemtic Name: phenyl 4-(4-ethoxy-2-ethyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-ethoxy-2-ethyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-ethoxy-2-ethylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-ethoxy-2-ethylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-ethoxy-2-ethyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC(=C1)OCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-3-16-14-18(25-4-2)10-11-19(16)22-13-12-21-20(15-22)27(23,24)26-17-8-6-5-7-9-17/h5-11,14,20-21H,3-4,12-13,15H2,1-2H3