[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(C)(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(C)(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C25H32N2O5S/c1-18-12-13-19(16-22(18)33(30,31)27-14-8-5-9-15-27)24(29)32-17-23(28)26-21-11-7-6-10-20(21)25(2,3)4/h6-7,10-13,16H,5,8-9,14-15,17H2,1-4H3,(H,26,28)