7-[[5-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-2-methyl-pyrazol-3-yl]carbonylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[5-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-2-methyl-pyrazol-3-yl]carbonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 7-[[5-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-2-methyl-pyrazole-3-carbonyl]amino]naphthalene-1,3-disulfonic acid CAS Name: 7-[[[5-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-methyl-3-pyrazolyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[[5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-2-methylpyrazole-3-carbonyl]amino]naphthalene-1,3-disulfonic acid Traditional Name: 7-[[5-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-2-methyl-pyrazole-3-carbonyl]amino]naphthalene-1,3-disulfonic acid Formula: C21H20N6O8S2 MolecularWeight: 548.5489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O8S2/c1-26-10-12(22)6-16(26)20(28)24-19-9-17(27(2)25-19)21(29)23-13-4-3-11-5-14(36(30,31)32)8-18(15(11)7-13)37(33,34)35/h3-10H,22H2,1-2H3,(H,23,29)(H,24,25,28)(H,30,31,32)(H,33,34,35)