N-[2-[di(propan-2-yl)amino]ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[di(propan-2-yl)amino]ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[2-(diisopropylamino)ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[2-[di(propan-2-yl)amino]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-(4-acetylpiperazino)-N-[2-(diisopropylamino)ethyl]-3-nitro-benzenesulfonamide Formula: C20H33N5O5S MolecularWeight: 455.57152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)N(CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H33N5O5S/c1-15(2)24(16(3)4)9-8-21-31(29,30)18-6-7-19(20(14-18)25(27)28)23-12-10-22(11-13-23)17(5)26/h6-7,14-16,21H,8-13H2,1-5H3