[3-[[(4-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-ethylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-ethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[[(4-ethylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-ethylphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C)C(C)C

InChI

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