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

Systemtic Name: methyl N-[2-(3-oxidanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamate Openeye Name: methyl N-[4-(benzenesulfonyl)-2-(3-hydroxypiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-(3-hydroxy-1-piperazinyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-(benzenesulfonyl)-2-(3-hydroxypiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-besyl-2-(3-hydroxypiperazino)phenyl]sulfamic acid methyl ester Formula: C17H21N3O6S2 MolecularWeight: 427.49514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S2/c1-26-28(24,25)19-15-8-7-14(27(22,23)13-5-3-2-4-6-13)11-16(15)20-10-9-18-17(21)12-20/h2-8,11,17-19,21H,9-10,12H2,1H3