4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(2-quinolin-8-ylethyl)aniline

Systemtic Name: 4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(2-quinolin-8-ylethyl)aniline Openeye Name: 4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-N-[2-(8-quinolyl)ethyl]aniline CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(8-quinolinyl)ethyl]aniline IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(2-quinolin-8-ylethyl)aniline Traditional Name: [4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-[2-(8-quinolyl)ethyl]amine Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-17-5-4-14-26(16-17)32(30,31)20-9-10-21(22(15-20)27(28)29)24-13-11-19-7-2-6-18-8-3-12-25-23(18)19/h2-3,6-10,12,15,17,24H,4-5,11,13-14,16H2,1H3