[3-[[(2-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(2-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(2-ethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2-ethylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(2-ethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)C(C)C

InChI

InChI=1S/C20H26N2O4S/c1-5-17-10-6-7-12-19(17)21-20(23)22(15(2)3)14-16-9-8-11-18(13-16)26-27(4,24)25/h6-13,15H,5,14H2,1-4H3,(H,21,23)