3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[2-(1,3-benzothiazol-2-yl)pyrrolidino]sulfonylbenzonitrile Formula: C18H15N3O2S2 MolecularWeight: 369.4606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S2/c19-12-13-5-3-6-14(11-13)25(22,23)21-10-4-8-16(21)18-20-15-7-1-2-9-17(15)24-18/h1-3,5-7,9,11,16H,4,8,10H2