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

Systemtic Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamate Openeye Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamate CAS Name: N-[2-(3-ethoxy-1-piperazinyl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamate Traditional Name: N-[2-(3-ethoxypiperazino)-2-[4-(2-hydroxyphenyl)phenyl]ethyl]sulfamic acid phenyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4O

Isomeric SMILES

CCOC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4O

InChI

InChI=1S/C26H31N3O5S/c1-2-33-26-19-29(17-16-27-26)24(18-28-35(31,32)34-22-8-4-3-5-9-22)21-14-12-20(13-15-21)23-10-6-7-11-25(23)30/h3-15,24,26-28,30H,2,16-19H2,1H3