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

Systemtic Name: ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-propyl-phenyl]sulfamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-propylphenyl]sulfamate Traditional Name: N-[2-[3-(2-hydroxyphenyl)piperazino]-4-propyl-phenyl]sulfamic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-3-7-16-10-11-18(23-29(26,27)28-4-2)20(14-16)24-13-12-22-19(15-24)17-8-5-6-9-21(17)25/h5-6,8-11,14,19,22-23,25H,3-4,7,12-13,15H2,1-2H3