[3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] 4-(2-methoxyethoxy)benzenesulfonate

Systemtic Name: [3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] 4-(2-methoxyethoxy)benzenesulfonate Openeye Name: [3-(o-tolylcarbamoyl)-2-naphthyl] 4-(2-methoxyethoxy)benzenesulfonate CAS Name: 4-(2-methoxyethoxy)benzenesulfonic acid [3-[(2-methylanilino)-oxomethyl]-2-naphthalenyl] ester IUPAC Name: [3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] 4-(2-methoxyethoxy)benzenesulfonate Traditional Name: 4-(2-methoxyethoxy)benzenesulfonic acid [3-(o-tolylcarbamoyl)-2-naphthyl] ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OS(=O)(=O)C4=CC=C(C=C4)OCCOC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OS(=O)(=O)C4=CC=C(C=C4)OCCOC

InChI

InChI=1S/C27H25NO6S/c1-19-7-3-6-10-25(19)28-27(29)24-17-20-8-4-5-9-21(20)18-26(24)34-35(30,31)23-13-11-22(12-14-23)33-16-15-32-2/h3-14,17-18H,15-16H2,1-2H3,(H,28,29)