1-[[4-[4-(dimethoxymethyl)piperidin-1-yl]sulfonylphenyl]carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[4-[4-(dimethoxymethyl)piperidin-1-yl]sulfonylphenyl]carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[4-[[4-(dimethoxymethyl)-1-piperidyl]sulfonyl]phenyl]carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[4-(dimethoxymethyl)-1-piperidinyl]sulfonyl]anilino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[4-[4-(dimethoxymethyl)piperidin-1-yl]sulfonylphenyl]carbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-[4-(dimethoxymethyl)piperidino]sulfonylphenyl]carbamoyl]proline Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCC3C(=O)O)OC

Isomeric SMILES

COC(C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C20H29N3O7S/c1-29-19(30-2)14-9-12-22(13-10-14)31(27,28)16-7-5-15(6-8-16)21-20(26)23-11-3-4-17(23)18(24)25/h5-8,14,17,19H,3-4,9-13H2,1-2H3,(H,21,26)(H,24,25)