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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNOC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNOC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O4S/c1-18(2)15-19-9-11-20(12-10-19)22(16-25-29-3)26-14-13-24-23(17-26)31(27,28)30-21-7-5-4-6-8-21/h4-12,18,22-25H,13-17H2,1-3H3