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

Systemtic Name: [2-[[4-[3-(3-methoxyphenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate Openeye Name: [2-[[4-[3-(3-methoxyphenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate CAS Name: methanesulfonic acid [[2-[[4-[3-(3-methoxyphenyl)propoxy]phenyl]methylamino]-1-oxopropyl]amino] ester IUPAC Name: [2-[[4-[3-(3-methoxyphenyl)propoxy]phenyl]methylamino]propanoylamino] methanesulfonate Traditional Name: methanesulfonic acid [2-[[4-[3-(3-methoxyphenyl)propoxy]benzyl]amino]propanoylamino] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S/c1-16(21(24)23-29-30(3,25)26)22-15-18-9-11-19(12-10-18)28-13-5-7-17-6-4-8-20(14-17)27-2/h4,6,8-12,14,16,22H,5,7,13,15H2,1-3H3,(H,23,24)