[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H24ClN3O5S/c23-19-9-7-17(15-21(19)32(30,31)24-11-3-1-2-4-12-24)22(27)25-13-5-6-16-14-18(26(28)29)8-10-20(16)25/h7-10,14-15H,1-6,11-13H2