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

Systemtic Name: methyl N-[4-(2-hydroxyphenyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-(2-hydroxyphenyl)phenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-(2-hydroxyphenyl)phenyl]sulfamic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-31-32(29,30)26-22-12-11-19(21-9-5-6-10-24(21)28)16-23(22)27-14-13-25-20(17-27)15-18-7-3-2-4-8-18/h2-12,16,20,25-26,28H,13-15,17H2,1H3