N1,N4-bis[4-[(1-methylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: N1,N4-bis[4-[(1-methylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Openeye Name: N1,N4-bis[4-[(1-methyl-2-pyridylidene)carbamoyl]phenyl]terephthalamide; 4-methylbenzenesulfonic acid CAS Name: N1,N4-bis[4-[[(1-methyl-2-pyridinylidene)amino]-oxomethyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 1-N,4-N-bis[4-[(1-methylpyridin-2-ylidene)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Traditional Name: N,N'-bis[4-[(1-methyl-2-pyridylidene)carbamoyl]phenyl]terephthalamide; tosylic acid Formula: C48H44N6O10S2 MolecularWeight: 929.02716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=CC=CC1=NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N=C5C=CC=CN5C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=CC=CC1=NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)N=C5C=CC=CN5C

InChI

InChI=1S/C34H28N6O4.2C7H8O3S/c1-39-21-5-3-7-29(39)37-33(43)25-13-17-27(18-14-25)35-31(41)23-9-11-24(12-10-23)32(42)36-28-19-15-26(16-20-28)34(44)38-30-8-4-6-22-40(30)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3,(H,35,41)(H,36,42);2*2-5H,1H3,(H,8,9,10)