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

Systemtic Name: [2-[[4-[3-(3-bromophenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate Openeye Name: [2-[[4-[3-(3-bromophenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate CAS Name: methanesulfonic acid [[2-[[4-[3-(3-bromophenyl)propoxy]phenyl]methylamino]-1-oxopropyl]amino] ester IUPAC Name: [2-[[4-[3-(3-bromophenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate Traditional Name: methanesulfonic acid [2-[[4-[3-(3-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=C2)Br

Isomeric SMILES

CC(C(=O)NOS(=O)(=O)C)NCC1=CC=C(C=C1)OCCCC2=CC(=CC=C2)Br

InChI

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