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

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

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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=C2OC

Isomeric SMILES

CC(C(=O)NOS(=O)(=O)C)NCC1=CC=C(C=C1)OCCCC2=CC=CC=C2OC

InChI

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