dimethyl 5-[(2S)-2-phenylpyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2S)-2-phenylpyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2S)-2-phenylpyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-2-phenyl-1-pyrrolidinyl]sulfonyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2S)-2-phenylpyrrolidin-1-yl]sulfonylbenzene-1,3-dicarboxylate Traditional Name: 5-[(2S)-2-phenylpyrrolidino]sulfonylbenzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCC[C@H]2C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H21NO6S/c1-26-19(22)15-11-16(20(23)27-2)13-17(12-15)28(24,25)21-10-6-9-18(21)14-7-4-3-5-8-14/h3-5,7-8,11-13,18H,6,9-10H2,1-2H3/t18-/m0/s1