1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]proline Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O6S/c1-27-17-9-8-14(28(25,26)20-10-4-2-3-5-11-20)13-15(17)18(22)21-12-6-7-16(21)19(23)24/h8-9,13,16H,2-7,10-12H2,1H3,(H,23,24)