(2S)-2-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-6-yl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide

Systemtic Name: (2S)-2-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-6-yl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide Openeye Name: (2S)-2-[(1-acetyl-5-bromo-indolin-6-yl)sulfonylamino]-N-(thiazol-4-ylmethyl)propanamide CAS Name: (2S)-2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]-N-(4-thiazolylmethyl)propanamide IUPAC Name: (2S)-2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]-N-(1,3-thiazol-4-ylmethyl)propanamide Traditional Name: (2S)-2-[(1-acetyl-5-bromo-indolin-6-yl)sulfonylamino]-N-(thiazol-4-ylmethyl)propionamide Formula: C17H19BrN4O4S2 MolecularWeight: 487.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CSC=N1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

Isomeric SMILES

C[C@@H](C(=O)NCC1=CSC=N1)NS(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C)Br

InChI

InChI=1S/C17H19BrN4O4S2/c1-10(17(24)19-7-13-8-27-9-20-13)21-28(25,26)16-6-15-12(5-14(16)18)3-4-22(15)11(2)23/h5-6,8-10,21H,3-4,7H2,1-2H3,(H,19,24)/t10-/m0/s1