(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4S2/c1-14(2)20(26-32(29,30)12-11-16-7-5-4-6-8-16)21(28)25-22-24-18-10-9-17(23-15(3)27)13-19(18)31-22/h4-14,20,26H,1-3H3,(H,23,27)(H,24,25,28)/b12-11+/t20-/m0/s1