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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C21H22ClN5O3S/c22-17-8-9-20(27-15-23-14-24-27)19(13-17)25-21(28)16-6-5-7-18(12-16)31(29,30)26-10-3-1-2-4-11-26/h5-9,12-15H,1-4,10-11H2,(H,25,28)