(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-oxo-3-pyrrolidin-1-yl-propyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[3-oxo-3-(1-pyrrolidinyl)propyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-keto-3-pyrrolidino-propyl)acrylamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NCCC(=O)N3CCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCCC(=O)N3CCCC3

InChI

InChI=1S/C22H31N3O4S/c26-21(23-14-13-22(27)24-15-5-6-16-24)12-9-19-7-10-20(11-8-19)30(28,29)25-17-3-1-2-4-18-25/h7-12H,1-6,13-18H2,(H,23,26)/b12-9+