methyl 5-azanyl-1-methylsulfonyl-7-phenylmethoxy-indole-2-carboxylate

Systemtic Name: methyl 5-azanyl-1-methylsulfonyl-7-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 5-amino-7-benzyloxy-1-methylsulfonyl-indole-2-carboxylate CAS Name: 5-amino-1-methylsulfonyl-7-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-methylsulfonyl-7-phenylmethoxyindole-2-carboxylate Traditional Name: 5-amino-7-benzoxy-1-mesyl-indole-2-carboxylic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC(=CC(=C2N1S(=O)(=O)C)OCC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC2=CC(=CC(=C2N1S(=O)(=O)C)OCC3=CC=CC=C3)N

InChI

InChI=1S/C18H18N2O5S/c1-24-18(21)15-9-13-8-14(19)10-16(17(13)20(15)26(2,22)23)25-11-12-6-4-3-5-7-12/h3-10H,11,19H2,1-2H3