(propanoylamino) 4-methyl-3-[[3-oxidanylidene-2-[2-(phenylcarbamoyl)imidazol-1-yl]butanoyl]amino]benzenesulfinate

Systemtic Name: (propanoylamino) 4-methyl-3-[[3-oxidanylidene-2-[2-(phenylcarbamoyl)imidazol-1-yl]butanoyl]amino]benzenesulfinate Openeye Name: (propanoylamino) 4-methyl-3-[[3-oxo-2-[2-(phenylcarbamoyl)imidazol-1-yl]butanoyl]amino]benzenesulfinate CAS Name: 3-[[2-[2-[anilino(oxo)methyl]-1-imidazolyl]-1,3-dioxobutyl]amino]-4-methylbenzenesulfinic acid (1-oxopropylamino) ester IUPAC Name: (propanoylamino) 4-methyl-3-[[3-oxo-2-[2-(phenylcarbamoyl)imidazol-1-yl]butanoyl]amino]benzenesulfinate Traditional Name: 3-[[3-keto-2-[2-(phenylcarbamoyl)imidazol-1-yl]butanoyl]amino]-4-methyl-benzenesulfinic acid propionamido ester Formula: C24H25N5O6S MolecularWeight: 511.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NOS(=O)C1=CC(=C(C=C1)C)NC(=O)C(C(=O)C)N2C=CN=C2C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NOS(=O)C1=CC(=C(C=C1)C)NC(=O)C(C(=O)C)N2C=CN=C2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H25N5O6S/c1-4-20(31)28-35-36(34)18-11-10-15(2)19(14-18)27-23(32)21(16(3)30)29-13-12-25-22(29)24(33)26-17-8-6-5-7-9-17/h5-14,21H,4H2,1-3H3,(H,26,33)(H,27,32)(H,28,31)