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

Systemtic Name: methyl N-[2-(3-oxidanylpiperazin-1-yl)-4-(phenylmethyl)phenyl]sulfamate Openeye Name: methyl N-[4-benzyl-2-(3-hydroxypiperazin-1-yl)phenyl]sulfamate CAS Name: N-[2-(3-hydroxy-1-piperazinyl)-4-(phenylmethyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-benzyl-2-(3-hydroxypiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-(3-hydroxypiperazino)phenyl]sulfamic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C18H23N3O4S/c1-25-26(23,24)20-16-8-7-15(11-14-5-3-2-4-6-14)12-17(16)21-10-9-19-18(22)13-21/h2-8,12,18-20,22H,9-11,13H2,1H3