[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-17-7-3-4-8-20(17)23-21(25)16-29-22(26)15-18-9-11-19(12-10-18)30(27,28)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,23,25)