[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C16H18BrN3O5S3 MolecularWeight: 508.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=NC=C(S3)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=NC=C(S3)Br

InChI

InChI=1S/C16H18BrN3O5S3/c17-12-9-18-16(27-12)19-13(21)10-25-14(22)8-11-4-5-15(26-11)28(23,24)20-6-2-1-3-7-20/h4-5,9H,1-3,6-8,10H2,(H,18,19,21)