[2-[[4-[3-(2-bromophenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate

Systemtic Name: [2-[[4-[3-(2-bromophenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate Openeye Name: [2-[[4-[3-(2-bromophenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate CAS Name: methanesulfonic acid [[2-[[4-[3-(2-bromophenyl)propoxy]phenyl]methylamino]-1-oxopropyl]amino] ester IUPAC Name: [2-[[4-[3-(2-bromophenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate Traditional Name: methanesulfonic acid [2-[[4-[3-(2-bromophenyl)propoxy]benzyl]amino]propanoylamino] ester Formula: C20H25BrN2O5S MolecularWeight: 485.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NOS(=O)(=O)C)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2Br

Isomeric SMILES

CC(C(=O)NOS(=O)(=O)C)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2Br

InChI

InChI=1S/C20H25BrN2O5S/c1-15(20(24)23-28-29(2,25)26)22-14-16-9-11-18(12-10-16)27-13-5-7-17-6-3-4-8-19(17)21/h3-4,6,8-12,15,22H,5,7,13-14H2,1-2H3,(H,23,24)