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

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-[4-(2-methylpropyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-(4-isobutylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(ethoxyamino)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-[4-(2-methylpropyl)phenyl]ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(ethoxyamino)-1-(4-isobutylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H35N3O4S MolecularWeight: 461.6174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O4S/c1-4-30-26-17-23(21-12-10-20(11-13-21)16-19(2)3)27-15-14-25-24(18-27)32(28,29)31-22-8-6-5-7-9-22/h5-13,19,23-26H,4,14-18H2,1-3H3