N-[4-[(3-nitro-7-phenyl-quinolin-4-yl)amino]butyl]methanesulfonamide

Systemtic Name: N-[4-[(3-nitro-7-phenyl-quinolin-4-yl)amino]butyl]methanesulfonamide Openeye Name: N-[4-[(3-nitro-7-phenyl-4-quinolyl)amino]butyl]methanesulfonamide CAS Name: N-[4-[(3-nitro-7-phenyl-4-quinolinyl)amino]butyl]methanesulfonamide IUPAC Name: N-[4-[(3-nitro-7-phenylquinolin-4-yl)amino]butyl]methanesulfonamide Traditional Name: N-[4-[(3-nitro-7-phenyl-4-quinolyl)amino]butyl]methanesulfonamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCCNC1=C2C=CC(=CC2=NC=C1[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)NCCCCNC1=C2C=CC(=CC2=NC=C1[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4S/c1-29(27,28)23-12-6-5-11-21-20-17-10-9-16(15-7-3-2-4-8-15)13-18(17)22-14-19(20)24(25)26/h2-4,7-10,13-14,23H,5-6,11-12H2,1H3,(H,21,22)