[3-[(3-chloranyl-4-tetradecoxy-phenyl)methyl-ethanoyl-amino]phenyl]methyl methanesulfonate

Systemtic Name: [3-[(3-chloranyl-4-tetradecoxy-phenyl)methyl-ethanoyl-amino]phenyl]methyl methanesulfonate Openeye Name: [3-[acetyl-[(3-chloro-4-tetradecoxy-phenyl)methyl]amino]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[acetyl-[(3-chloro-4-tetradecoxyphenyl)methyl]amino]phenyl]methyl ester IUPAC Name: [3-[acetyl-[(3-chloro-4-tetradecoxyphenyl)methyl]amino]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[acetyl-(3-chloro-4-myristyloxy-benzyl)amino]benzyl] ester Formula: C31H46ClNO5S MolecularWeight: 580.21864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)COS(=O)(=O)C)C(=O)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC(=C2)COS(=O)(=O)C)C(=O)C)Cl

InChI

InChI=1S/C31H46ClNO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-37-31-20-19-27(23-30(31)32)24-33(26(2)34)29-18-16-17-28(22-29)25-38-39(3,35)36/h16-20,22-23H,4-15,21,24-25H2,1-3H3