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2-[2-[(1-methylsulfonylethoxycarbonylamino)methyl]phenyl]benzoic acid

2-[2-[(1-methylsulfonylethoxycarbonylamino)methyl]phenyl]benzoic acid

Systemtic Name:2-[2-[(1-methylsulfonylethoxycarbonylamino)methyl]phenyl]benzoic acid
Openeye Name:2-[2-[(1-methylsulfonylethoxycarbonylamino)methyl]phenyl]benzoic acid
CAS Name:2-[2-[[[1-methylsulfonylethoxy(oxo)methyl]amino]methyl]phenyl]benzoic acid
IUPAC Name:2-[2-[(1-methylsulfonylethoxycarbonylamino)methyl]phenyl]benzoic acid
Traditional Name:2-[2-[(1-mesylethoxycarbonylamino)methyl]phenyl]benzoic acid
Formula: C18H19NO6S
MolecularWeight: 377.41156
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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)NCC1=CC=CC=C1C2=CC=CC=C2C(=O)O)S(=O)(=O)C


Isomeric SMILES

CC(OC(=O)NCC1=CC=CC=C1C2=CC=CC=C2C(=O)O)S(=O)(=O)C


InChI

InChI=1S/C18H19NO6S/c1-12(26(2,23)24)25-18(22)19-11-13-7-3-4-8-14(13)15-9-5-6-10-16(15)17(20)21/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)


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