[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C17H17BrClN3O5S2 MolecularWeight: 522.82098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)Br)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=NC=C(S3)Br)Cl

InChI

InChI=1S/C17H17BrClN3O5S2/c18-14-9-20-17(28-14)21-15(23)10-27-16(24)11-4-5-12(19)13(8-11)29(25,26)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7,10H2,(H,20,21,23)