methyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]pyrrolidine-2-carboxylate CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCC3C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCC3C(=O)OC

InChI

InChI=1S/C20H28N2O6S/c1-27-18-10-9-15(29(25,26)21-11-5-3-4-6-12-21)14-16(18)19(23)22-13-7-8-17(22)20(24)28-2/h9-10,14,17H,3-8,11-13H2,1-2H3