N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-yl-ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-pyrrolidinyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidino-ethyl]-3-nitro-benzenesulfonamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C1C=CC(=C2)C(CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CN1CCCC2=C1C=CC(=C2)C(CNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C22H28N4O4S/c1-24-11-5-6-17-14-18(9-10-21(17)24)22(25-12-2-3-13-25)16-23-31(29,30)20-8-4-7-19(15-20)26(27)28/h4,7-10,14-15,22-23H,2-3,5-6,11-13,16H2,1H3