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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C20H27N3O4S/c1-3-6-15-9-10-17(22-28(25,26)27-2)19(13-15)23-12-11-21-18(14-23)16-7-4-5-8-20(16)24/h4-5,7-10,13,18,21-22,24H,3,6,11-12,14H2,1-2H3