[5-[[butan-2-yl(naphthalen-1-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[butan-2-yl(naphthalen-1-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[naphthalene-1-carbonyl(sec-butyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[butan-2-yl-[1-naphthalenyl(oxo)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[butan-2-yl(naphthalene-1-carbonyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[1-naphthoyl(sec-butyl)amino]methyl]phenyl] ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC(C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)CC)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H29NO5S/c1-5-18(3)26(25(27)22-13-9-11-20-10-7-8-12-21(20)22)17-19-14-15-23(30-4)24(16-19)31-32(28,29)6-2/h7-16,18H,5-6,17H2,1-4H3