N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-[(4-ethanoylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-[(4-ethanoylphenyl)sulfonylamino]propanamide Openeye Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]propanamide CAS Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide IUPAC Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide Traditional Name: 3-[(4-acetylphenyl)sulfonylamino]-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]propionamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C20H22BrN3O5S/c1-13-11-16(21)5-8-18(13)24-20(27)12-22-19(26)9-10-23-30(28,29)17-6-3-15(4-7-17)14(2)25/h3-8,11,23H,9-10,12H2,1-2H3,(H,22,26)(H,24,27)