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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methylthiazol-2-yl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(5-methyl-2-thiazolyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(5-methylthiazol-2-yl)acrylamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CN=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3O3S2/c1-15-14-20-19(26-15)21-18(23)11-8-16-6-9-17(10-7-16)27(24,25)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,20,21,23)/b11-8+