[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H23BrN2O5S2 MolecularWeight: 515.44102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C20H23BrN2O5S2/c1-14-11-15(5-7-17(14)21)22-18(24)13-28-19(25)12-16-6-8-20(29-16)30(26,27)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,22,24)