1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfonyl]ethanone

Systemtic Name: 1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfonyl]ethanone Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfonyl]-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-1-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(5-acetyl-2-methoxy-benzyl)sulfonyl-1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]ethanone Formula: C23H24N2O5S2 MolecularWeight: 472.57706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CS(=O)(=O)CC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O5S2/c1-15(26)16-9-10-20(30-2)17(12-16)13-32(28,29)14-22(27)25-11-5-7-19(25)23-24-18-6-3-4-8-21(18)31-23/h3-4,6,8-10,12,19H,5,7,11,13-14H2,1-2H3/t19-/m0/s1