methyl 4-(3-azanyl-4-oxidanylidene-4-phenylazanyl-butyl)sulfinylbenzoate

Systemtic Name: methyl 4-(3-azanyl-4-oxidanylidene-4-phenylazanyl-butyl)sulfinylbenzoate Openeye Name: methyl 4-(3-amino-4-anilino-4-oxo-butyl)sulfinylbenzoate CAS Name: 4-(3-amino-4-anilino-4-oxobutyl)sulfinylbenzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-4-anilino-4-oxobutyl)sulfinylbenzoate Traditional Name: 4-(3-amino-4-anilino-4-keto-butyl)sulfinylbenzoic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)CCC(C(=O)NC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)CCC(C(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C18H20N2O4S/c1-24-18(22)13-7-9-15(10-8-13)25(23)12-11-16(19)17(21)20-14-5-3-2-4-6-14/h2-10,16H,11-12,19H2,1H3,(H,20,21)