[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C22H32N2O6S MolecularWeight: 452.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3CCCC3)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3CCCC3)OC)C

InChI

InChI=1S/C22H32N2O6S/c1-15-10-16(2)13-24(12-15)31(27,28)20-11-17(8-9-19(20)29-3)22(26)30-14-21(25)23-18-6-4-5-7-18/h8-9,11,15-16,18H,4-7,10,12-14H2,1-3H3,(H,23,25)