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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromanyl-N-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Br

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Br

InChI

InChI=1S/C20H20BrN3O3S2/c1-23(13-19-22-17-6-2-3-7-18(17)28-19)20(25)15-12-14(8-9-16(15)21)29(26,27)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13H2,1H3