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

Systemtic Name: ethyl 4-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC=CN3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=CC=CN3C

InChI

InChI=1S/C18H22N2O4S/c1-3-24-18(21)14-8-10-15(11-9-14)25(22,23)20-13-5-7-17(20)16-6-4-12-19(16)2/h4,6,8-12,17H,3,5,7,13H2,1-2H3/t17-/m0/s1