N-cyclopentyl-N-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-cyclopentyl-N-[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-nitro-benzenesulfonamide Openeye Name: N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-benzenesulfonamide CAS Name: N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-cyclopentyl-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzenesulfonamide Traditional Name: N-cyclopentyl-N-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]-4-nitro-benzenesulfonamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N3O5S/c1-15-11-16(2)22-17(12-15)13-18(23(27)24-22)14-25(19-5-3-4-6-19)32(30,31)21-9-7-20(8-10-21)26(28)29/h7-13,19H,3-6,14H2,1-2H3,(H,24,27)