[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCCCC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CCCCCCC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H32N2O6S/c1-29-19-12-11-17(15-20(19)31(27,28)24-13-7-8-14-24)22(26)30-16-21(25)23-18-9-5-3-2-4-6-10-18/h11-12,15,18H,2-10,13-14,16H2,1H3,(H,23,25)