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

Systemtic Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methyl-1-piperazinyl)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazino)ethyl]-2-nitro-benzenesulfonamide Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)N(CCC4)C

Isomeric SMILES

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)N(CCC4)C

InChI

InChI=1S/C23H31N5O4S/c1-25-12-14-27(15-13-25)22(19-9-10-20-18(16-19)6-5-11-26(20)2)17-24-33(31,32)23-8-4-3-7-21(23)28(29)30/h3-4,7-10,16,22,24H,5-6,11-15,17H2,1-2H3