3-(azepan-1-ylsulfonyl)-4-chloranyl-N-quinolin-5-yl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-quinolin-5-yl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-quinolyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(5-quinolinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-quinolin-5-ylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-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=CC=CC4=C3C=CC=N4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC=N4)Cl

InChI

InChI=1S/C22H22ClN3O3S/c23-18-11-10-16(15-21(18)30(28,29)26-13-3-1-2-4-14-26)22(27)25-20-9-5-8-19-17(20)7-6-12-24-19/h5-12,15H,1-4,13-14H2,(H,25,27)