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

Systemtic Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzamide Openeye Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzamide CAS Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]sulfonyl]benzamide IUPAC Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzamide Traditional Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]sulfonylbenzamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N3O3S2/c19-17(22)12-7-9-13(10-8-12)26(23,24)21-11-3-5-15(21)18-20-14-4-1-2-6-16(14)25-18/h1-2,4,6-10,15H,3,5,11H2,(H2,19,22)/t15-/m0/s1