[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(thiazol-2-ylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-oxo-2-(2-thiazolylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(thiazol-2-ylamino)ethyl] ester Formula: C18H20ClN3O5S2 MolecularWeight: 457.9515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5S2/c19-14-6-5-13(17(24)27-12-16(23)21-18-20-7-10-28-18)11-15(14)29(25,26)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9,12H2,(H,20,21,23)