N-(4-azanyl-4-oxidanylidene-butan-2-yl)-5-bromanyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

Systemtic Name: N-(4-azanyl-4-oxidanylidene-butan-2-yl)-5-bromanyl-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide Openeye Name: N-(3-amino-1-methyl-3-oxo-propyl)-5-bromo-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide CAS Name: N-(4-amino-4-oxobutan-2-yl)-5-bromo-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide IUPAC Name: N-(4-amino-4-oxobutan-2-yl)-5-bromo-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide Traditional Name: N-(3-amino-3-keto-1-methyl-propyl)-5-bromo-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NC(C)CC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NC(C)CC(=O)N)C

InChI

InChI=1S/C21H22BrN3O4S/c1-11-6-12(2)8-15(7-11)30(28,29)20-16-10-14(22)4-5-17(16)25-19(20)21(27)24-13(3)9-18(23)26/h4-8,10,13,25H,9H2,1-3H3,(H2,23,26)(H,24,27)