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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=NN=C(S3)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=NN=C(S3)C4CC4

InChI

InChI=1S/C20H24N4O3S2/c25-18(21-20-23-22-19(28-20)16-8-9-16)12-7-15-5-10-17(11-6-15)29(26,27)24-13-3-1-2-4-14-24/h5-7,10-12,16H,1-4,8-9,13-14H2,(H,21,23,25)