4-[[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-ethylpiperazin-1-yl)-2-methyl-anilino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-(4-ethyl-1-piperazinyl)-2-methylanilino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-ethylpiperazino)-2-methyl-anilino]-N-methyl-3-nitro-benzenesulfonamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-])C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-])C

InChI

InChI=1S/C20H27N5O4S/c1-4-23-9-11-24(12-10-23)16-5-7-18(15(2)13-16)22-19-8-6-17(30(28,29)21-3)14-20(19)25(26)27/h5-8,13-14,21-22H,4,9-12H2,1-3H3