methyl 3-[(phenoxysulfonylamino)methyl]-1-(2-phenylpentyl)indole-5-carboxylate

Systemtic Name: methyl 3-[(phenoxysulfonylamino)methyl]-1-(2-phenylpentyl)indole-5-carboxylate Openeye Name: methyl 3-[(phenoxysulfonylamino)methyl]-1-(2-phenylpentyl)indole-5-carboxylate CAS Name: 3-[(phenoxysulfonylamino)methyl]-1-(2-phenylpentyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(phenoxysulfonylamino)methyl]-1-(2-phenylpentyl)indole-5-carboxylate Traditional Name: 3-[(phenoxysulfonylamino)methyl]-1-(2-phenylpentyl)indole-5-carboxylic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC(CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

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