[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H32N2O6S MolecularWeight: 440.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2C

InChI

InChI=1S/C21H32N2O6S/c1-5-17(6-2)22-20(24)14-29-21(25)16-10-11-18(28-4)19(13-16)30(26,27)23-12-8-7-9-15(23)3/h10-11,13,15,17H,5-9,12,14H2,1-4H3,(H,22,24)