methyl 1-(2-phenoxysulfonylpentyl)-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-(2-phenoxysulfonylpentyl)-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-(2-phenoxysulfonylpentyl)indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-(2-phenoxysulfonylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-(2-phenoxysulfonylpentyl)indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-phenoxysulfonylpentyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S/c1-3-10-25(36(32,33)35-24-13-8-5-9-14-24)20-30-19-22(18-29-23-11-6-4-7-12-23)26-17-21(28(31)34-2)15-16-27(26)30/h4-9,11-17,19,25,29H,3,10,18,20H2,1-2H3