[4-[[3-methylbutyl(pentanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[3-methylbutyl(pentanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl(pentanoyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[3-methylbutyl(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[3-methylbutyl(pentanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl(valeryl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCC(C)C)CC1=CC=C(C=C1)OS(=O)(=O)C

Isomeric SMILES

CCCCC(=O)N(CCC(C)C)CC1=CC=C(C=C1)OS(=O)(=O)C

InChI

InChI=1S/C18H29NO4S/c1-5-6-7-18(20)19(13-12-15(2)3)14-16-8-10-17(11-9-16)23-24(4,21)22/h8-11,15H,5-7,12-14H2,1-4H3