[(2R)-4-[6-aminocarbonyl-5-(4-methylphenyl)-8-oxidanylidene-1,7-naphthyridin-7-yl]-2-methyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-4-[6-aminocarbonyl-5-(4-methylphenyl)-8-oxidanylidene-1,7-naphthyridin-7-yl]-2-methyl-butyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-4-[6-carbamoyl-8-oxo-5-(p-tolyl)-1,7-naphthyridin-7-yl]-2-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-4-[6-carbamoyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridin-7-yl]-2-methylbutyl] ester IUPAC Name: [(2R)-4-[6-carbamoyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridin-7-yl]-2-methylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-4-[6-carbamoyl-8-keto-5-(p-tolyl)-1,7-naphthyridin-7-yl]-2-methyl-butyl] ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC=N3)CCC(C)COS(=O)(=O)C4=CC=C(C=C4)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC=N3)CC[C@@H](C)COS(=O)(=O)C4=CC=C(C=C4)C)C(=O)N

InChI

InChI=1S/C28H29N3O5S/c1-18-6-10-21(11-7-18)24-23-5-4-15-30-25(23)28(33)31(26(24)27(29)32)16-14-20(3)17-36-37(34,35)22-12-8-19(2)9-13-22/h4-13,15,20H,14,16-17H2,1-3H3,(H2,29,32)/t20-/m1/s1