3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide Formula: C21H22ClN5O3S MolecularWeight: 459.94908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NNC(=N3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NNC(=N3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O3S/c22-17-11-10-16(14-18(17)31(29,30)27-12-6-1-2-7-13-27)20(28)24-21-23-19(25-26-21)15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2,(H2,23,24,25,26,28)