5-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[(4-chlorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C18H19ClN2O6S MolecularWeight: 426.87126

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN(CC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2O6S/c1-21(28(25,26)14-6-4-13(19)5-7-14)11-17(22)20-10-12-3-8-16(27-2)15(9-12)18(23)24/h3-9H,10-11H2,1-2H3,(H,20,22)(H,23,24)