[[2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-yl]carbonylamino]azanium methanoate

Systemtic Name: [[2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-yl]carbonylamino]azanium methanoate Openeye Name: [[2-methyl-5-(p-tolylsulfonylamino)benzofuran-3-carbonyl]amino]ammonium formate CAS Name: [[[2-methyl-5-[(4-methylphenyl)sulfonylamino]-3-benzofuranyl]-oxomethyl]amino]ammonium formate IUPAC Name: [[2-methyl-5-[(4-methylphenyl)sulfonylamino]-1-benzofuran-3-carbonyl]amino]azanium formate Traditional Name: [[2-methyl-5-(tosylamino)benzofuran-3-carbonyl]amino]ammonium formate Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)N[NH3+])C.C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=C3C(=O)N[NH3+])C.C(=O)[O-]

InChI

InChI=1S/C17H17N3O4S.CH2O2/c1-10-3-6-13(7-4-10)25(22,23)20-12-5-8-15-14(9-12)16(11(2)24-15)17(21)19-18;2-1-3/h3-9,20H,18H2,1-2H3,(H,19,21);1H,(H,2,3)