N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-pyrrolidinosulfonyl-benzamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S2/c23-19(20-13-18-21-16-8-1-2-9-17(16)26-18)14-6-5-7-15(12-14)27(24,25)22-10-3-4-11-22/h1-2,5-9,12H,3-4,10-11,13H2,(H,20,23)