(2-benzamido-2-oxidanylidene-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid (2-benzamido-2-keto-ethyl) ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O6S/c27-22(25-24(29)20-8-4-3-5-9-20)18-32-23(28)15-12-19-10-13-21(14-11-19)33(30,31)26-16-6-1-2-7-17-26/h3-5,8-11,13-14H,1-2,6-7,12,15-18H2,(H,25,27,29)