[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-(2-methylpropyl)phenyl]sulfamic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-14(2)11-15-7-8-17(22-28(25,26)27)19(12-15)23-10-9-21-18(13-23)16-5-3-4-6-20(16)24/h3-8,12,14,18,21-22,24H,9-11,13H2,1-2H3,(H,25,26,27)