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

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C19H21BrN2O5S2 MolecularWeight: 501.41444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H21BrN2O5S2/c20-14-5-4-6-15(11-14)21-17(23)13-27-18(24)12-16-7-8-19(28-16)29(25,26)22-9-2-1-3-10-22/h4-8,11H,1-3,9-10,12-13H2,(H,21,23)