4-[[1-(cyclohexylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(4-methoxyphenyl)carbamoyl]-6-phenyl-pyrimidine-2-sulfonic acid

Systemtic Name: 4-[[1-(cyclohexylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(4-methoxyphenyl)carbamoyl]-6-phenyl-pyrimidine-2-sulfonic acid Openeye Name: 4-[[1-(cyclohexylcarbamoyl)-3-methyl-butyl]-(4-methoxyphenyl)carbamoyl]-6-phenyl-pyrimidine-2-sulfonic acid CAS Name: 4-[(N-[1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxyanilino)-oxomethyl]-6-phenyl-2-pyrimidinesulfonic acid IUPAC Name: 4-[[1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-(4-methoxyphenyl)carbamoyl]-6-phenylpyrimidine-2-sulfonic acid Traditional Name: 4-[[1-(cyclohexylcarbamoyl)-3-methyl-butyl]-(4-methoxyphenyl)carbamoyl]-6-phenyl-pyrimidine-2-sulfonic acid Formula: C30H36N4O6S MolecularWeight: 580.69504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCCC1)N(C2=CC=C(C=C2)OC)C(=O)C3=NC(=NC(=C3)C4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCCC1)N(C2=CC=C(C=C2)OC)C(=O)C3=NC(=NC(=C3)C4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C30H36N4O6S/c1-20(2)18-27(28(35)31-22-12-8-5-9-13-22)34(23-14-16-24(40-3)17-15-23)29(36)26-19-25(21-10-6-4-7-11-21)32-30(33-26)41(37,38)39/h4,6-7,10-11,14-17,19-20,22,27H,5,8-9,12-13,18H2,1-3H3,(H,31,35)(H,37,38,39)