phenyl N-[2-[4-(2-methylpropyl)phenyl]-2-(3-oxidanylpiperazin-1-yl)ethyl]sulfamate

Systemtic Name: phenyl N-[2-[4-(2-methylpropyl)phenyl]-2-(3-oxidanylpiperazin-1-yl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-hydroxypiperazin-1-yl)-2-(4-isobutylphenyl)ethyl]sulfamate CAS Name: N-[2-(3-hydroxy-1-piperazinyl)-2-[4-(2-methylpropyl)phenyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-hydroxypiperazin-1-yl)-2-[4-(2-methylpropyl)phenyl]ethyl]sulfamate Traditional Name: N-[2-(3-hydroxypiperazino)-2-(4-isobutylphenyl)ethyl]sulfamic acid phenyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C22H31N3O4S/c1-17(2)14-18-8-10-19(11-9-18)21(25-13-12-23-22(26)16-25)15-24-30(27,28)29-20-6-4-3-5-7-20/h3-11,17,21-24,26H,12-16H2,1-2H3