4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-pyrrolidinosulfonylphenyl)butyramide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H24N4O5S2/c26-20(11-6-12-22-21-18-9-1-2-10-19(18)31(27,28)24-21)23-16-7-5-8-17(15-16)32(29,30)25-13-3-4-14-25/h1-2,5,7-10,15H,3-4,6,11-14H2,(H,22,24)(H,23,26)