4-(5-chloranyl-2-methyl-phenyl)-N'-(phenylmethyl)sulfonyl-piperazine-1-carboximidamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N'-(phenylmethyl)sulfonyl-piperazine-1-carboximidamide Openeye Name: N'-benzylsulfonyl-4-(5-chloro-2-methyl-phenyl)piperazine-1-carboxamidine CAS Name: 4-(5-chloro-2-methylphenyl)-N'-(phenylmethyl)sulfonyl-1-piperazinecarboximidamide IUPAC Name: N'-benzylsulfonyl-4-(5-chloro-2-methylphenyl)piperazine-1-carboximidamide Traditional Name: N'-benzylsulfonyl-4-(5-chloro-2-methyl-phenyl)piperazine-1-carboxamidine Formula: C19H23ClN4O2S MolecularWeight: 406.92952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=NS(=O)(=O)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)/C(=N/S(=O)(=O)CC3=CC=CC=C3)/N

InChI

InChI=1S/C19H23ClN4O2S/c1-15-7-8-17(20)13-18(15)23-9-11-24(12-10-23)19(21)22-27(25,26)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H2,21,22)