phenyl 2-[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]ethanesulfonate

Systemtic Name: phenyl 2-[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]ethanesulfonate Openeye Name: phenyl 2-[methyl-[(2-propoxy-1-naphthyl)methyl]amino]ethanesulfonate CAS Name: 2-[methyl-[(2-propoxy-1-naphthalenyl)methyl]amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]ethanesulfonate Traditional Name: 2-[methyl-[(2-propoxy-1-naphthyl)methyl]amino]ethanesulfonic acid phenyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=CC=CC=C2C=C1)CN(C)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C2=CC=CC=C2C=C1)CN(C)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H27NO4S/c1-3-16-27-23-14-13-19-9-7-8-12-21(19)22(23)18-24(2)15-17-29(25,26)28-20-10-5-4-6-11-20/h4-14H,3,15-18H2,1-2H3