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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-cyclopropyl-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-acrylamide Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3CC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3CC3

InChI

InChI=1S/C18H24N2O3S/c21-18(19-16-8-9-16)12-7-15-5-10-17(11-6-15)24(22,23)20-13-3-1-2-4-14-20/h5-7,10-12,16H,1-4,8-9,13-14H2,(H,19,21)/b12-7+