2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=O)N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)C(=O)N

InChI

InChI=1S/C22H24N4O5S2/c1-25(13-20-24-17-6-2-3-7-19(17)32-20)21(27)14-31-18-9-8-15(12-16(18)22(23)28)33(29,30)26-10-4-5-11-26/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H2,23,28)