methyl 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-2-propoxy-benzoate

Systemtic Name: methyl 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-2-propoxy-benzoate Openeye Name: methyl 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-2-propoxy-benzoate CAS Name: 5-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]sulfonyl]-2-propoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonyl-2-propoxybenzoate Traditional Name: 5-[(3S)-3-(dimethylamino)pyrrolidino]sulfonyl-2-propoxy-benzoic acid methyl ester Formula: C17H26N2O5S MolecularWeight: 370.46374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(C2)N(C)C)C(=O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@@H](C2)N(C)C)C(=O)OC

InChI

InChI=1S/C17H26N2O5S/c1-5-10-24-16-7-6-14(11-15(16)17(20)23-4)25(21,22)19-9-8-13(12-19)18(2)3/h6-7,11,13H,5,8-10,12H2,1-4H3/t13-/m0/s1