azanylidene-[4-[(4-ethoxycarbonylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-butyl]imino-azanium

Systemtic Name: azanylidene-[4-[(4-ethoxycarbonylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-butyl]imino-azanium Openeye Name: [4-[4-ethoxycarbonyl-N-(p-tolylsulfonyl)anilino]-2-hydroxy-butyl]imino-imino-ammonium CAS Name: [4-(4-ethoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)-2-hydroxybutyl]imino-iminoammonium IUPAC Name: [4-(4-ethoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)-2-hydroxybutyl]imino-iminoazanium Traditional Name: [4-(4-carbethoxy-N-tosyl-anilino)-2-hydroxy-butyl]imino-imino-ammonium Formula: C20H25N4O5S+ MolecularWeight: 433.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCC(CN=[N+]=N)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCC(CN=[N+]=N)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H25N4O5S/c1-3-29-20(26)16-6-8-17(9-7-16)24(13-12-18(25)14-22-23-21)30(27,28)19-10-4-15(2)5-11-19/h4-11,18,21,25H,3,12-14H2,1-2H3/q+1