4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,7-disulfonic acid Openeye Name: 4-[[4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid CAS Name: 4-[[[4-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,7-disulfonic acid IUPAC Name: 4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid Traditional Name: 4-[[4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,7-disulfonic acid Formula: C22H21N5O8S2 MolecularWeight: 547.56084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=C4C=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C)N

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=C4C=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C)N

InChI

InChI=1S/C22H21N5O8S2/c1-26-10-12(23)7-18(26)21(28)24-13-8-19(27(2)11-13)22(29)25-17-5-6-20(37(33,34)35)16-9-14(36(30,31)32)3-4-15(16)17/h3-11H,23H2,1-2H3,(H,24,28)(H,25,29)(H,30,31,32)(H,33,34,35)