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

Systemtic Name: ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(2-methylpropyl)phenyl]sulfamate Openeye Name: ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-isobutyl-phenyl]sulfamate CAS Name: N-[2-[3-(2-hydroxyphenyl)-1-piperazinyl]-4-(2-methylpropyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(2-methylpropyl)phenyl]sulfamate Traditional Name: N-[2-[3-(2-hydroxyphenyl)piperazino]-4-isobutyl-phenyl]sulfamic acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC(C)C)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C22H31N3O4S/c1-4-29-30(27,28)24-19-10-9-17(13-16(2)3)14-21(19)25-12-11-23-20(15-25)18-7-5-6-8-22(18)26/h5-10,14,16,20,23-24,26H,4,11-13,15H2,1-3H3