ethyl N-[2-(3-chloranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamate

Systemtic Name: ethyl N-[2-(3-chloranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamate Openeye Name: ethyl N-[2-(3-chloropiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamate CAS Name: N-[2-(3-chloro-1-piperazinyl)-4-propan-2-ylsulfonylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-chloropiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamate Traditional Name: N-[2-(3-chloropiperazino)-4-isopropylsulfonyl-phenyl]sulfamic acid ethyl ester Formula: C15H24ClN3O5S2 MolecularWeight: 425.95116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C(C)C)N2CCNC(C2)Cl

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C(C)C)N2CCNC(C2)Cl

InChI

InChI=1S/C15H24ClN3O5S2/c1-4-24-26(22,23)18-13-6-5-12(25(20,21)11(2)3)9-14(13)19-8-7-17-15(16)10-19/h5-6,9,11,15,17-18H,4,7-8,10H2,1-3H3