5-azanylidene-4-[1,2-bis(phenylsulfonyl)ethyl]-4H-1,2-oxazol-3-amine

Systemtic Name: 5-azanylidene-4-[1,2-bis(phenylsulfonyl)ethyl]-4H-1,2-oxazol-3-amine Openeye Name: 4-[1,2-bis(benzenesulfonyl)ethyl]-5-imino-4H-isoxazol-3-amine CAS Name: 4-[1,2-bis(benzenesulfonyl)ethyl]-5-imino-4H-isoxazol-3-amine IUPAC Name: 4-[1,2-bis(benzenesulfonyl)ethyl]-5-imino-4H-1,2-oxazol-3-amine Traditional Name: [4-(1,2-dibesylethyl)-5-imino-2-isoxazolin-3-yl]amine Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC(C2C(=NOC2=N)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC(C2C(=NOC2=N)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O5S2/c18-16-15(17(19)25-20-16)14(27(23,24)13-9-5-2-6-10-13)11-26(21,22)12-7-3-1-4-8-12/h1-10,14-15,19H,11H2,(H2,18,20)