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

Systemtic Name: N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methylphenyl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(diisopropylamino)ethyl]-3-nitro-4-(p-tolylmethylamino)benzenesulfonamide CAS Name: N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methylphenyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methylphenyl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(diisopropylamino)ethyl]-4-[(4-methylbenzyl)amino]-3-nitro-benzenesulfonamide Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCCN(C(C)C)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCCN(C(C)C)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O4S/c1-16(2)25(17(3)4)13-12-24-31(29,30)20-10-11-21(22(14-20)26(27)28)23-15-19-8-6-18(5)7-9-19/h6-11,14,16-17,23-24H,12-13,15H2,1-5H3