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

Systemtic Name: ethyl N-[4-ethyl-2-[3-(2-hydroxyphenyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: ethyl N-[4-ethyl-2-[3-(2-hydroxyphenyl)piperazin-1-yl]phenyl]sulfamate CAS Name: N-[4-ethyl-2-[3-(2-hydroxyphenyl)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-ethyl-2-[3-(2-hydroxyphenyl)piperazin-1-yl]phenyl]sulfamate Traditional Name: N-[4-ethyl-2-[3-(2-hydroxyphenyl)piperazino]phenyl]sulfamic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C20H27N3O4S/c1-3-15-9-10-17(22-28(25,26)27-4-2)19(13-15)23-12-11-21-18(14-23)16-7-5-6-8-20(16)24/h5-10,13,18,21-22,24H,3-4,11-12,14H2,1-2H3