3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C16H19ClN4O3S2 MolecularWeight: 414.93006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C16H19ClN4O3S2/c1-11-19-20-16(25-11)18-15(22)12-6-7-13(17)14(10-12)26(23,24)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3,(H,18,20,22)