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

Systemtic Name: 5-azanylidene-4-[1,2-bis[(4-chlorophenyl)sulfonyl]ethyl]-4H-1,2-oxazol-3-amine Openeye Name: 4-[1,2-bis[(4-chlorophenyl)sulfonyl]ethyl]-5-imino-4H-isoxazol-3-amine CAS Name: 4-[1,2-bis[(4-chlorophenyl)sulfonyl]ethyl]-5-imino-4H-isoxazol-3-amine IUPAC Name: 4-[1,2-bis[(4-chlorophenyl)sulfonyl]ethyl]-5-imino-4H-1,2-oxazol-3-amine Traditional Name: [4-[1,2-bis[(4-chlorophenyl)sulfonyl]ethyl]-5-imino-2-isoxazolin-3-yl]amine Formula: C17H15Cl2N3O5S2 MolecularWeight: 476.3541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CC(C2C(=NOC2=N)N)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CC(C2C(=NOC2=N)N)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O5S2/c18-10-1-5-12(6-2-10)28(23,24)9-14(15-16(20)22-27-17(15)21)29(25,26)13-7-3-11(19)4-8-13/h1-8,14-15,21H,9H2,(H2,20,22)