3,4-diethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]aniline

Systemtic Name: 3,4-diethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]aniline Openeye Name: 3,4-diethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]aniline CAS Name: 3,4-diethoxy-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]aniline IUPAC Name: 3,4-diethoxy-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]aniline Traditional Name: (3,4-diethoxyphenyl)-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H28N4O6S/c1-4-30-20-9-6-16(14-21(20)31-5-2)22-18-8-7-17(15-19(18)25(26)27)32(28,29)24-12-10-23(3)11-13-24/h6-9,14-15,22H,4-5,10-13H2,1-3H3