[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C23H34N2O6S MolecularWeight: 466.59086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C23H34N2O6S/c1-17-9-8-10-18(2)25(17)22(26)16-31-23(27)20-15-19(11-12-21(20)30-3)32(28,29)24-13-6-4-5-7-14-24/h11-12,15,17-18H,4-10,13-14,16H2,1-3H3