3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N4O3S2/c1-14-20-21-18(26-14)19-17(23)11-8-15-6-9-16(10-7-15)27(24,25)22-12-4-2-3-5-13-22/h6-11H,2-5,12-13H2,1H3,(H,19,21,23)