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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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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)NCCOC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NCCOC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6S/c28-24(26-16-19-32-22-8-4-3-5-9-22)20-33-25(29)15-12-21-10-13-23(14-11-21)34(30,31)27-17-6-1-2-7-18-27/h3-5,8-15H,1-2,6-7,16-20H2,(H,26,28)/b15-12+