[4-[[(4-cyanophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-cyanophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-cyanophenyl)carbamoyl-(tetrahydrofuran-2-ylmethyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[[(4-cyanoanilino)-oxomethyl]-(2-oxolanylmethyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-cyanophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-cyanophenyl)carbamoyl-(tetrahydrofurfuryl)amino]methyl]phenyl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CN(CC2CCCO2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O5S/c1-30(26,27)29-19-10-6-17(7-11-19)14-24(15-20-3-2-12-28-20)21(25)23-18-8-4-16(13-22)5-9-18/h4-11,20H,2-3,12,14-15H2,1H3,(H,23,25)