phenyl 4-[2-(ethoxyamino)-1-(4-ethylphenyl)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-(4-ethylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-(4-ethylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxyamino)-1-(4-ethylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-(4-ethylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxyamino)-1-(4-ethylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S/c1-3-18-10-12-19(13-11-18)21(16-24-28-4-2)25-15-14-23-22(17-25)30(26,27)29-20-8-6-5-7-9-20/h5-13,21-24H,3-4,14-17H2,1-2H3