[3-cyano-1-[[2-(3,4-dichlorophenyl)-4-oxidanyl-butyl]carbamoyl]naphthalen-2-yl] methanesulfonate

Systemtic Name: [3-cyano-1-[[2-(3,4-dichlorophenyl)-4-oxidanyl-butyl]carbamoyl]naphthalen-2-yl] methanesulfonate Openeye Name: [3-cyano-1-[[2-(3,4-dichlorophenyl)-4-hydroxy-butyl]carbamoyl]-2-naphthyl] methanesulfonate CAS Name: methanesulfonic acid [3-cyano-1-[[[2-(3,4-dichlorophenyl)-4-hydroxybutyl]amino]-oxomethyl]-2-naphthalenyl] ester IUPAC Name: [3-cyano-1-[[2-(3,4-dichlorophenyl)-4-hydroxybutyl]carbamoyl]naphthalen-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-cyano-1-[[2-(3,4-dichlorophenyl)-4-hydroxy-butyl]carbamoyl]-2-naphthyl] ester Formula: C23H20Cl2N2O5S MolecularWeight: 507.3863

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C2=CC=CC=C2C=C1C#N)C(=O)NCC(CCO)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)OC1=C(C2=CC=CC=C2C=C1C#N)C(=O)NCC(CCO)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H20Cl2N2O5S/c1-33(30,31)32-22-17(12-26)10-15-4-2-3-5-18(15)21(22)23(29)27-13-16(8-9-28)14-6-7-19(24)20(25)11-14/h2-7,10-11,16,28H,8-9,13H2,1H3,(H,27,29)