2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonyl-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-(3,4-diethoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C21H24N2O4S2/c1-3-26-18-12-11-15(14-19(18)27-4-2)29(24,25)23-13-7-9-17(23)21-22-16-8-5-6-10-20(16)28-21/h5-6,8,10-12,14,17H,3-4,7,9,13H2,1-2H3/t17-/m0/s1