[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C15H16BrN3O5S3 MolecularWeight: 494.40364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=NC=C(S2)Br)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=NC=C(S2)Br)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C15H16BrN3O5S3/c16-11-8-17-15(26-11)18-12(20)9-24-14(21)10-3-5-19(6-4-10)27(22,23)13-2-1-7-25-13/h1-2,7-8,10H,3-6,9H2,(H,17,18,20)