4-methyl-N-[2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]ethyl]-3-nitro-benzenesulfonamide Formula: C20H25N5O8S2 MolecularWeight: 527.5712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O8S2/c1-15-3-5-17(13-19(15)24(26)27)34(30,31)21-7-8-22-9-11-23(12-10-22)35(32,33)18-6-4-16(2)20(14-18)25(28)29/h3-6,13-14,21H,7-12H2,1-2H3