1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]sulfonylphenyl]ethanone Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S2/c1-13(22)14-6-4-7-15(12-14)26(23,24)21-11-5-9-17(21)19-20-16-8-2-3-10-18(16)25-19/h2-4,6-8,10,12,17H,5,9,11H2,1H3/t17-/m0/s1