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

Systemtic Name: 3-nitro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide Openeye Name: 3-nitro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide CAS Name: 3-nitro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide Traditional Name: 3-nitro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC2=C1C=CC(=C2)CCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1CCCC2=C1C=CC(=C2)CCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-2-12-22-13-4-5-17-14-16(8-9-20(17)22)10-11-21-28(26,27)19-7-3-6-18(15-19)23(24)25/h3,6-9,14-15,21H,2,4-5,10-13H2,1H3