N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide Openeye Name: N-[6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide CAS Name: N-[6-[[2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-1,3-benzothiazol-2-yl]-4-methoxybenzenesulfonamide IUPAC Name: N-[6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,3-benzothiazol-2-yl]-4-methoxybenzenesulfonamide Traditional Name: 4-methoxy-N-[6-(2-methylolpyrrolidine-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCC4CO

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCCC4CO

InChI

InChI=1S/C20H21N3O5S2/c1-28-15-5-7-16(8-6-15)30(26,27)22-20-21-17-9-4-13(11-18(17)29-20)19(25)23-10-2-3-14(23)12-24/h4-9,11,14,24H,2-3,10,12H2,1H3,(H,21,22)