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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenylmethoxy-prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzyloxy-prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-phenylmethoxy-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenylmethoxyprop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-benzoxy-acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NOCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NOCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c25-22(23-28-18-20-8-4-3-5-9-20)15-12-19-10-13-21(14-11-19)29(26,27)24-16-6-1-2-7-17-24/h3-5,8-15H,1-2,6-7,16-18H2,(H,23,25)/b15-12+