[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C22H27N3O6S2/c23-21(28)18-11-14-32-22(18)24-19(26)15-31-20(27)10-7-16-5-8-17(9-6-16)33(29,30)25-12-3-1-2-4-13-25/h5-6,8-9,11,14H,1-4,7,10,12-13,15H2,(H2,23,28)(H,24,26)