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

Systemtic Name: phenyl N-[2-(4-methylphenyl)-2-(3-oxidanylpiperazin-1-yl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-hydroxypiperazin-1-yl)-2-(p-tolyl)ethyl]sulfamate CAS Name: N-[2-(3-hydroxy-1-piperazinyl)-2-(4-methylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-hydroxypiperazin-1-yl)-2-(4-methylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-hydroxypiperazino)-2-(p-tolyl)ethyl]sulfamic acid phenyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-15-7-9-16(10-8-15)18(22-12-11-20-19(23)14-22)13-21-27(24,25)26-17-5-3-2-4-6-17/h2-10,18-21,23H,11-14H2,1H3