N-[(cyclopentylamino)methyl]-N-[2-[methyl-(5-nitropyridin-2-yl)amino]ethyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(cyclopentylamino)methyl]-N-[2-[methyl-(5-nitropyridin-2-yl)amino]ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(cyclopentylamino)methyl]-N-[2-[methyl-(5-nitro-2-pyridyl)amino]ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(cyclopentylamino)methyl]-N-[2-[methyl-(5-nitro-2-pyridinyl)amino]ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(cyclopentylamino)methyl]-N-[2-[methyl-(5-nitropyridin-2-yl)amino]ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(cyclopentylamino)methyl]-N-[2-[methyl-(5-nitro-2-pyridyl)amino]ethyl]-2-nitro-benzenesulfonamide Formula: C20H26N6O6S MolecularWeight: 478.52204

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(CNC1CCCC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CCN(CNC1CCCC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O6S/c1-23(20-11-10-17(14-21-20)25(27)28)12-13-24(15-22-16-6-2-3-7-16)33(31,32)19-9-5-4-8-18(19)26(29)30/h4-5,8-11,14,16,22H,2-3,6-7,12-13,15H2,1H3