N-(1,3-benzothiazol-2-ylmethyl)-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromanyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-pyrrolidinosulfonyl-benzamide Formula: C19H18BrN3O3S2 MolecularWeight: 480.39852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3S2/c20-15-8-7-13(28(25,26)23-9-3-4-10-23)11-14(15)19(24)21-12-18-22-16-5-1-2-6-17(16)27-18/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,24)