[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5S2/c28-22(26-24-25-21(17-33-24)18-8-4-3-5-9-18)16-32-23(29)19-10-12-20(13-11-19)34(30,31)27-14-6-1-2-7-15-27/h3-5,8-13,17H,1-2,6-7,14-16H2,(H,25,26,28)