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

Systemtic Name: ethyl N-[2-(3-bromanylpiperazin-1-yl)-4-(phenylsulfonyl)phenyl]sulfamate Openeye Name: ethyl N-[4-(benzenesulfonyl)-2-(3-bromopiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(benzenesulfonyl)-2-(3-bromo-1-piperazinyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-(benzenesulfonyl)-2-(3-bromopiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-besyl-2-(3-bromopiperazino)phenyl]sulfamic acid ethyl ester Formula: C18H22BrN3O5S2 MolecularWeight: 504.41838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O5S2/c1-2-27-29(25,26)21-16-9-8-15(28(23,24)14-6-4-3-5-7-14)12-17(16)22-11-10-20-18(19)13-22/h3-9,12,18,20-21H,2,10-11,13H2,1H3