methyl 4-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidino]sulfonylbenzoic acid methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=CC=C1[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H20N2O4S/c1-18-11-3-5-15(18)16-6-4-12-19(16)24(21,22)14-9-7-13(8-10-14)17(20)23-2/h3,5,7-11,16H,4,6,12H2,1-2H3/t16-/m0/s1