N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H21N3O6S2/c24-19(11-14-23-20(25)17-5-1-2-6-18(17)31(23,28)29)21-15-7-9-16(10-8-15)30(26,27)22-12-3-4-13-22/h1-2,5-10H,3-4,11-14H2,(H,21,24)