N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H19BrN4O3S3 MolecularWeight: 563.51026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)N(CC3=CC=CC=N3)C4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C22H19BrN4O3S3/c23-15-8-9-17-19(13-15)32-22(25-17)26(14-16-5-1-2-10-24-16)21(28)18-6-3-11-27(18)33(29,30)20-7-4-12-31-20/h1-2,4-5,7-10,12-13,18H,3,6,11,14H2