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

Systemtic Name: ethyl N-[4-(2-hydroxyphenyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]sulfamate CAS Name: N-[4-(2-hydroxyphenyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-(2-hydroxyphenyl)phenyl]sulfamic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c1-2-32-33(30,31)27-23-13-12-20(22-10-6-7-11-25(22)29)17-24(23)28-15-14-26-21(18-28)16-19-8-4-3-5-9-19/h3-13,17,21,26-27,29H,2,14-16,18H2,1H3