methyl 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]sulfonylbenzoic acid methyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S2/c1-25-19(22)13-8-10-14(11-9-13)27(23,24)21-12-4-6-16(21)18-20-15-5-2-3-7-17(15)26-18/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1