[3-azanyl-4-(3-methoxypropylcarbamoyl)phenyl] methanesulfonate

Systemtic Name: [3-azanyl-4-(3-methoxypropylcarbamoyl)phenyl] methanesulfonate Openeye Name: [3-amino-4-(3-methoxypropylcarbamoyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-amino-4-[(3-methoxypropylamino)-oxomethyl]phenyl] ester IUPAC Name: [3-amino-4-(3-methoxypropylcarbamoyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-amino-4-(3-methoxypropylcarbamoyl)phenyl] ester Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=C(C=C1)OS(=O)(=O)C)N

Isomeric SMILES

COCCCNC(=O)C1=C(C=C(C=C1)OS(=O)(=O)C)N

InChI

InChI=1S/C12H18N2O5S/c1-18-7-3-6-14-12(15)10-5-4-9(8-11(10)13)19-20(2,16)17/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)