1-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C23H25ClN2O5S MolecularWeight: 476.973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O)Cl

InChI

InChI=1S/C23H25ClN2O5S/c24-19-11-10-16(15-21(19)32(30,31)25-12-3-1-2-4-13-25)22(27)26-14-6-8-17-18(23(28)29)7-5-9-20(17)26/h5,7,9-11,15H,1-4,6,8,12-14H2,(H,28,29)