methyl 1-(2-phenoxysulfonyl-2-phenyl-ethyl)-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(2-phenoxysulfonyl-2-phenyl-ethyl)-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-(2-phenoxysulfonyl-2-phenyl-ethyl)indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-(2-phenoxysulfonyl-2-phenylethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-(2-phenoxysulfonyl-2-phenylethyl)indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-phenoxysulfonyl-2-phenyl-ethyl)indole-5-carboxylic acid methyl ester Formula: C31H28N2O5S MolecularWeight: 540.62942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CNC3=CC=CC=C3)CC(C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNC3=CC=CC=C3)CC(C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O5S/c1-37-31(34)24-17-18-29-28(19-24)25(20-32-26-13-7-3-8-14-26)21-33(29)22-30(23-11-5-2-6-12-23)39(35,36)38-27-15-9-4-10-16-27/h2-19,21,30,32H,20,22H2,1H3