4-(2,3-dimethylphenyl)-N'-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine-1-carboximidamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N'-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine-1-carboximidamide Openeye Name: 4-(2,3-dimethylphenyl)-N'-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamidine CAS Name: 4-(2,3-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinecarboximidamide IUPAC Name: 4-(2,3-dimethylphenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylpiperazine-1-carboximidamide Traditional Name: 4-(2,3-dimethylphenyl)-N'-(4-methyl-3-nitro-phenyl)sulfonyl-piperazine-1-carboxamidine Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)/C(=N\S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])/N)C

InChI

InChI=1S/C20H25N5O4S/c1-14-5-4-6-18(16(14)3)23-9-11-24(12-10-23)20(21)22-30(28,29)17-8-7-15(2)19(13-17)25(26)27/h4-8,13H,9-12H2,1-3H3,(H2,21,22)