[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-16-6-9-18(10-7-16)22(26)29-15-21(25)23-19-11-8-17(2)20(14-19)30(27,28)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,23,25)