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

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxyamino)-1-(4-propylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxyamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNOCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNOCC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O4S/c1-3-8-19-11-13-20(14-12-19)22(17-25-29-4-2)26-16-15-24-23(18-26)31(27,28)30-21-9-6-5-7-10-21/h5-7,9-14,22-25H,3-4,8,15-18H2,1-2H3