2-phenyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-phenyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-phenyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-phenyl-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: 2-phenyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-phenyl-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H23N3O3S2/c1-2-17(15-8-4-3-5-9-15)20(25)23-21-22-18-11-10-16(14-19(18)28-21)29(26,27)24-12-6-7-13-24/h3-5,8-11,14,17H,2,6-7,12-13H2,1H3,(H,22,23,25)