[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S,4R)-1-(4-methoxyphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S,4R)-1-(4-methoxyphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S,4R)-4-hydroxy-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S,4R)-4-hydroxy-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OCC(=O)N3CCCCCC3)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OCC(=O)N3CCCCCC3)O

InChI

InChI=1S/C20H28N2O7S/c1-28-16-6-8-17(9-7-16)30(26,27)22-13-15(23)12-18(22)20(25)29-14-19(24)21-10-4-2-3-5-11-21/h6-9,15,18,23H,2-5,10-14H2,1H3/t15-,18+/m1/s1