(2S)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-4-methyl-2-(phenylsulfonylamino)pentanamide

Systemtic Name: (2S)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-4-methyl-2-(phenylsulfonylamino)pentanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-methylpentanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-4-methylpentanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-4-methyl-valeramide Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)NC1=NC2=CC=CC=C2S1)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4S2/c1-14(2)12-17(25-31(28,29)15-8-4-3-5-9-15)20(27)22-13-19(26)24-21-23-16-10-6-7-11-18(16)30-21/h3-11,14,17,25H,12-13H2,1-2H3,(H,22,27)(H,23,24,26)/t17-/m0/s1