(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(4-methylsulfonylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-mesylphenyl)acrylamide Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O5S2/c1-30(26,27)20-13-9-19(10-14-20)23-22(25)15-8-18-6-11-21(12-7-18)31(28,29)24-16-4-2-3-5-17-24/h6-15H,2-5,16-17H2,1H3,(H,23,25)/b15-8+