[2-[[cyclopropyl(thiophen-2-ylcarbonyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate

Systemtic Name: [2-[[cyclopropyl(thiophen-2-ylcarbonyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Openeye Name: [2-[[cyclopropyl(thiophene-2-carbonyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[cyclopropyl-[oxo(thiophen-2-yl)methyl]amino]methyl]-5-(diethylamino)phenyl] ester IUPAC Name: [2-[[cyclopropyl(thiophene-2-carbonyl)amino]methyl]-5-(diethylamino)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[[cyclopropyl(2-thenoyl)amino]methyl]-5-(diethylamino)phenyl] ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C3=CC=CS3)OS(=O)(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)CN(C2CC2)C(=O)C3=CC=CS3)OS(=O)(=O)C

InChI

InChI=1S/C20H26N2O4S2/c1-4-21(5-2)17-9-8-15(18(13-17)26-28(3,24)25)14-22(16-10-11-16)20(23)19-7-6-12-27-19/h6-9,12-13,16H,4-5,10-11,14H2,1-3H3