3-(azepan-1-ylsulfonyl)-4-chloranyl-N-quinolin-3-yl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-quinolin-3-yl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-quinolyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(3-quinolinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-quinolin-3-ylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-quinolyl)benzamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=CC=CC=C4N=C3)Cl

InChI

InChI=1S/C22H22ClN3O3S/c23-19-10-9-17(14-21(19)30(28,29)26-11-5-1-2-6-12-26)22(27)25-18-13-16-7-3-4-8-20(16)24-15-18/h3-4,7-10,13-15H,1-2,5-6,11-12H2,(H,25,27)