N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3CCCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3CCCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4S/c1-24-13-15-26(16-14-24)32(30,31)19-8-9-20(22(17-19)27(28)29)23-10-12-25-11-4-6-18-5-2-3-7-21(18)25/h2-3,5,7-9,17,23H,4,6,10-16H2,1H3