[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3C

InChI

InChI=1S/C25H32N2O5S/c1-4-19-10-8-11-20(5-2)24(19)26-23(28)17-32-25(29)21-12-14-22(15-13-21)33(30,31)27-16-7-6-9-18(27)3/h8,10-15,18H,4-7,9,16-17H2,1-3H3,(H,26,28)