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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(1H-1,2,4-triazol-5-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide Formula: C15H18ClN5O3S MolecularWeight: 383.85312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=NN3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC=NN3)Cl

InChI

InChI=1S/C15H18ClN5O3S/c16-12-6-5-11(14(22)19-15-17-10-18-20-15)9-13(12)25(23,24)21-7-3-1-2-4-8-21/h5-6,9-10H,1-4,7-8H2,(H2,17,18,19,20,22)