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

Systemtic Name: ethyl N-[2-(3-oxidanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamate Openeye Name: ethyl N-[4-(benzenesulfonyl)-2-(3-hydroxypiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-(3-hydroxy-1-piperazinyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-(benzenesulfonyl)-2-(3-hydroxypiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-besyl-2-(3-hydroxypiperazino)phenyl]sulfamic acid ethyl ester Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S2/c1-2-27-29(25,26)20-16-9-8-15(28(23,24)14-6-4-3-5-7-14)12-17(16)21-11-10-19-18(22)13-21/h3-9,12,18-20,22H,2,10-11,13H2,1H3