phenyl N-[2-(4-ethylphenyl)-2-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]sulfamate

Systemtic Name: phenyl N-[2-(4-ethylphenyl)-2-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]sulfamate Openeye Name: phenyl N-[2-(4-ethylphenyl)-2-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]sulfamate CAS Name: N-[2-(4-ethylphenyl)-2-[3-(2-hydroxyphenyl)-1-piperazinyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(4-ethylphenyl)-2-[3-(2-hydroxyphenyl)piperazin-1-yl]ethyl]sulfamate Traditional Name: N-[2-(4-ethylphenyl)-2-[3-(2-hydroxyphenyl)piperazino]ethyl]sulfamic acid phenyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

InChI=1S/C26H31N3O4S/c1-2-20-12-14-21(15-13-20)25(18-28-34(31,32)33-22-8-4-3-5-9-22)29-17-16-27-24(19-29)23-10-6-7-11-26(23)30/h3-15,24-25,27-28,30H,2,16-19H2,1H3