N-[2-[3-(1,2-benzothiazol-3-ylamino)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)methanesulfonamide

Systemtic Name: N-[2-[3-(1,2-benzothiazol-3-ylamino)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)methanesulfonamide Openeye Name: N-[2-[3-(1,2-benzothiazol-3-ylamino)pyrrolidin-1-yl]-2-oxo-ethyl]-N-isobutyl-methanesulfonamide CAS Name: N-[2-[3-(1,2-benzothiazol-3-ylamino)-1-pyrrolidinyl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide IUPAC Name: N-[2-[3-(1,2-benzothiazol-3-ylamino)pyrrolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide Traditional Name: N-[2-[3-(1,2-benzothiazol-3-ylamino)pyrrolidino]-2-keto-ethyl]-N-isobutyl-methanesulfonamide Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N1CCC(C1)NC2=NSC3=CC=CC=C32)S(=O)(=O)C

Isomeric SMILES

CC(C)CN(CC(=O)N1CCC(C1)NC2=NSC3=CC=CC=C32)S(=O)(=O)C

InChI

InChI=1S/C18H26N4O3S2/c1-13(2)10-22(27(3,24)25)12-17(23)21-9-8-14(11-21)19-18-15-6-4-5-7-16(15)26-20-18/h4-7,13-14H,8-12H2,1-3H3,(H,19,20)