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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N4O3S2/c1-12-7-8-14(16(22)18-17-20-19-13(2)25-17)11-15(12)26(23,24)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20,22)