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

Systemtic Name: phenyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-propylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-propylphenyl)ethyl]sulfamate CAS Name: N-[2-[3-(2-hydroxyphenyl)-1-piperazinyl]-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-2-(4-propylphenyl)ethyl]sulfamate Traditional Name: N-[2-[3-(2-hydroxyphenyl)piperazino]-2-(4-propylphenyl)ethyl]sulfamic acid phenyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

InChI=1S/C27H33N3O4S/c1-2-8-21-13-15-22(16-14-21)26(19-29-35(32,33)34-23-9-4-3-5-10-23)30-18-17-28-25(20-30)24-11-6-7-12-27(24)31/h3-7,9-16,25-26,28-29,31H,2,8,17-20H2,1H3