azanylidene-[5-[(4-ethoxycarbonylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-pentyl]imino-azanium

Systemtic Name: azanylidene-[5-[(4-ethoxycarbonylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-pentyl]imino-azanium Openeye Name: [5-[4-ethoxycarbonyl-N-(p-tolylsulfonyl)anilino]-2-hydroxy-pentyl]imino-imino-ammonium CAS Name: [5-(4-ethoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)-2-hydroxypentyl]imino-iminoammonium IUPAC Name: [5-(4-ethoxycarbonyl-N-(4-methylphenyl)sulfonylanilino)-2-hydroxypentyl]imino-iminoazanium Traditional Name: [5-(4-carbethoxy-N-tosyl-anilino)-2-hydroxy-pentyl]imino-imino-ammonium Formula: C21H27N4O5S+ MolecularWeight: 447.52788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N4O5S/c1-3-30-21(27)17-8-10-18(11-9-17)25(14-4-5-19(26)15-23-24-22)31(28,29)20-12-6-16(2)7-13-20/h6-13,19,22,26H,3-5,14-15H2,1-2H3/q+1