[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C24H36N2O5S MolecularWeight: 464.61804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCCC3)C

InChI

InChI=1S/C24H36N2O5S/c1-18-14-19(2)16-26(15-18)32(29,30)22-12-10-20(11-13-22)24(28)31-17-23(27)25-21-8-6-4-3-5-7-9-21/h10-13,18-19,21H,3-9,14-17H2,1-2H3,(H,25,27)