(2-oxidanylidene-2-phenylazanyl-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-anilino-2-keto-ethyl) ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5S/c26-22(24-20-8-4-3-5-9-20)18-30-23(27)15-12-19-10-13-21(14-11-19)31(28,29)25-16-6-1-2-7-17-25/h3-5,8-15H,1-2,6-7,16-18H2,(H,24,26)