N-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

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