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

Systemtic Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanamide Openeye Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanamide CAS Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanamide IUPAC Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanamide Traditional Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyramide Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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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)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S2/c1-11(2)18(25-31(28,29)15-6-4-5-13(21)9-15)19(27)24-20-23-16-8-7-14(22-12(3)26)10-17(16)30-20/h4-11,18,25H,1-3H3,(H,22,26)(H,23,24,27)/t18-/m0/s1