[[[3-(3-fluorophenyl)propoxy-phenyl-methyl]amino]-propanoyl-amino] methanesulfonate hydrochloride

Systemtic Name: [[[3-(3-fluorophenyl)propoxy-phenyl-methyl]amino]-propanoyl-amino] methanesulfonate hydrochloride Openeye Name: [[[3-(3-fluorophenyl)propoxy-phenyl-methyl]amino]-propanoyl-amino] methanesulfonate hydrochloride CAS Name: methanesulfonic acid [[[3-(3-fluorophenyl)propoxy-phenylmethyl]amino]-(1-oxopropyl)amino] ester hydrochloride IUPAC Name: [[[3-(3-fluorophenyl)propoxy-phenylmethyl]amino]-propanoylamino] methanesulfonate hydrochloride Traditional Name: methanesulfonic acid [[[3-(3-fluorophenyl)propoxy-phenyl-methyl]amino]-propionyl-amino] ester hydrochloride Formula: C20H26ClFN2O5S MolecularWeight: 460.947243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(NC(C1=CC=CC=C1)OCCCC2=CC(=CC=C2)F)OS(=O)(=O)C.Cl

Isomeric SMILES

CCC(=O)N(NC(C1=CC=CC=C1)OCCCC2=CC(=CC=C2)F)OS(=O)(=O)C.Cl

InChI

InChI=1S/C20H25FN2O5S.ClH/c1-3-19(24)23(28-29(2,25)26)22-20(17-11-5-4-6-12-17)27-14-8-10-16-9-7-13-18(21)15-16;/h4-7,9,11-13,15,20,22H,3,8,10,14H2,1-2H3;1H