methyl-[(3S)-3-[5-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-phenyl]-4-oxidanylidene-4-phenylazanyl-butan-2-ylidene]azanium

Systemtic Name: methyl-[(3S)-3-[5-[(4-methylphenyl)sulfonylamino]-2-oxidanyl-phenyl]-4-oxidanylidene-4-phenylazanyl-butan-2-ylidene]azanium Openeye Name: [(2S)-3-anilino-2-[2-hydroxy-5-(p-tolylsulfonylamino)phenyl]-1-methyl-3-oxo-propylidene]-methyl-ammonium CAS Name: [(3S)-4-anilino-3-[2-hydroxy-5-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutan-2-ylidene]-methylammonium IUPAC Name: [(3S)-4-anilino-3-[2-hydroxy-5-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutan-2-ylidene]-methylazanium Traditional Name: [(2S)-3-anilino-2-[2-hydroxy-5-(tosylamino)phenyl]-3-keto-1-methyl-propylidene]-methyl-ammonium Formula: C24H26N3O4S+ MolecularWeight: 452.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(C(=[NH+]C)C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)[C@@H](C(=[NH+]C)C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4S/c1-16-9-12-20(13-10-16)32(30,31)27-19-11-14-22(28)21(15-19)23(17(2)25-3)24(29)26-18-7-5-4-6-8-18/h4-15,23,27-28H,1-3H3,(H,26,29)/p+1/t23-/m1/s1