N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-chloranyl-N-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-chloro-N-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C19H18ClN3O3S2 MolecularWeight: 435.94752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C19H18ClN3O3S2/c1-22(19-21-16-6-2-3-7-17(16)27-19)18(24)14-12-13(8-9-15(14)20)28(25,26)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11H2,1H3