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

Systemtic Name: N-tert-butyl-4-[[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-(4-ethylpiperazin-1-yl)-2-methyl-anilino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-(4-ethyl-1-piperazinyl)-2-methylanilino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(4-ethylpiperazino)-2-methyl-anilino]-3-nitro-benzenesulfonamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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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(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O4S/c1-6-26-11-13-27(14-12-26)18-7-9-20(17(2)15-18)24-21-10-8-19(16-22(21)28(29)30)33(31,32)25-23(3,4)5/h7-10,15-16,24-25H,6,11-14H2,1-5H3