(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-acetamidophenyl)sulfonylamino]propanamide

Systemtic Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-acetamidophenyl)sulfonylamino]propanamide Openeye Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-acetamidophenyl)sulfonylamino]propanamide CAS Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-acetamidophenyl)sulfonylamino]propanamide IUPAC Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-acetamidophenyl)sulfonylamino]propanamide Traditional Name: (2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[(4-acetamidophenyl)sulfonylamino]propionamide Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5S2/c1-11(25-32(29,30)16-7-4-14(5-8-16)21-12(2)26)19(28)24-20-23-17-9-6-15(22-13(3)27)10-18(17)31-20/h4-11,25H,1-3H3,(H,21,26)(H,22,27)(H,23,24,28)/t11-/m0/s1