methyl N-[4-ethyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate

Systemtic Name: methyl N-[4-ethyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Openeye Name: methyl N-[4-ethyl-2-(3-isopropylsulfonylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-ethyl-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-ethyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-ethyl-2-(3-isopropylsulfonylpiperazino)phenyl]sulfamic acid methyl ester Formula: C16H27N3O5S2 MolecularWeight: 405.53268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C16H27N3O5S2/c1-5-13-6-7-14(18-26(22,23)24-4)15(10-13)19-9-8-17-16(11-19)25(20,21)12(2)3/h6-7,10,12,16-18H,5,8-9,11H2,1-4H3