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

Systemtic Name: methyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(2-methylpropyl)phenyl]sulfamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H29N3O4S/c1-15(2)12-16-8-9-18(23-29(26,27)28-3)20(13-16)24-11-10-22-19(14-24)17-6-4-5-7-21(17)25/h4-9,13,15,19,22-23,25H,10-12,14H2,1-3H3