[3-(3,4-dichlorophenyl)-4-(naphthalen-1-ylcarbamoylamino)butyl] methanesulfonate

Systemtic Name: [3-(3,4-dichlorophenyl)-4-(naphthalen-1-ylcarbamoylamino)butyl] methanesulfonate Openeye Name: [3-(3,4-dichlorophenyl)-4-(1-naphthylcarbamoylamino)butyl] methanesulfonate CAS Name: methanesulfonic acid [3-(3,4-dichlorophenyl)-4-[[(1-naphthalenylamino)-oxomethyl]amino]butyl] ester IUPAC Name: [3-(3,4-dichlorophenyl)-4-(naphthalen-1-ylcarbamoylamino)butyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(3,4-dichlorophenyl)-4-(1-naphthylcarbamoylamino)butyl] ester Formula: C22H22Cl2N2O4S MolecularWeight: 481.39208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC(CNC(=O)NC1=CC=CC2=CC=CC=C21)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)OCCC(CNC(=O)NC1=CC=CC2=CC=CC=C21)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H22Cl2N2O4S/c1-31(28,29)30-12-11-17(16-9-10-19(23)20(24)13-16)14-25-22(27)26-21-8-4-6-15-5-2-3-7-18(15)21/h2-10,13,17H,11-12,14H2,1H3,(H2,25,26,27)