N-(2,4-dimethylphenyl)-5-nitro-2-(4-propylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-5-nitro-2-(4-propylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-5-nitro-2-(4-propylpiperazin-1-yl)benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-5-nitro-2-(4-propyl-1-piperazinyl)benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-5-nitro-2-(4-propylpiperazin-1-yl)benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-5-nitro-2-(4-propylpiperazino)benzenesulfonamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H28N4O4S/c1-4-9-23-10-12-24(13-11-23)20-8-6-18(25(26)27)15-21(20)30(28,29)22-19-7-5-16(2)14-17(19)3/h5-8,14-15,22H,4,9-13H2,1-3H3