4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-quinolin-8-ylethyl)aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-quinolin-8-ylethyl)aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[2-(8-quinolyl)ethyl]aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-[2-(8-quinolinyl)ethyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(2-quinolin-8-ylethyl)aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[2-(8-quinolyl)ethyl]amine Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c28-27(29)22-17-20(32(30,31)26-15-3-1-2-4-16-26)10-11-21(22)24-14-12-19-8-5-7-18-9-6-13-25-23(18)19/h5-11,13,17,24H,1-4,12,14-16H2