[[[3-(2-bromophenyl)propoxy-phenyl-methyl]amino]-propanoyl-amino] methanesulfonate

Systemtic Name: [[[3-(2-bromophenyl)propoxy-phenyl-methyl]amino]-propanoyl-amino] methanesulfonate Openeye Name: [[[3-(2-bromophenyl)propoxy-phenyl-methyl]amino]-propanoyl-amino] methanesulfonate CAS Name: methanesulfonic acid [[[3-(2-bromophenyl)propoxy-phenylmethyl]amino]-(1-oxopropyl)amino] ester IUPAC Name: [[[3-(2-bromophenyl)propoxy-phenylmethyl]amino]-propanoylamino] methanesulfonate Traditional Name: methanesulfonic acid [[[3-(2-bromophenyl)propoxy-phenyl-methyl]amino]-propionyl-amino] ester Formula: C20H25BrN2O5S MolecularWeight: 485.3919

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(NC(C1=CC=CC=C1)OCCCC2=CC=CC=C2Br)OS(=O)(=O)C

Isomeric SMILES

CCC(=O)N(NC(C1=CC=CC=C1)OCCCC2=CC=CC=C2Br)OS(=O)(=O)C

InChI

InChI=1S/C20H25BrN2O5S/c1-3-19(24)23(28-29(2,25)26)22-20(17-11-5-4-6-12-17)27-15-9-13-16-10-7-8-14-18(16)21/h4-8,10-12,14,20,22H,3,9,13,15H2,1-2H3