N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-N-methyl-thiophene-2-sulfonamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-N-methyl-thiophene-2-sulfonamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxo-butyl]-N-methyl-thiophene-2-sulfonamide CAS Name: N-[4-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-4-oxobutyl]-N-methyl-2-thiophenesulfonamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-oxobutyl]-N-methylthiophene-2-sulfonamide Traditional Name: N-[4-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-4-keto-butyl]-N-methyl-thiophene-2-sulfonamide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CCCC(=O)N1CCCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S3/c1-22(29(25,26)19-11-6-14-27-19)12-5-10-18(24)23-13-4-8-16(23)20-21-15-7-2-3-9-17(15)28-20/h2-3,6-7,9,11,14,16H,4-5,8,10,12-13H2,1H3