methyl 3-(methylaminomethyl)-1-(2-phenoxysulfonyl-3-phenyl-propyl)indole-5-carboxylate

Systemtic Name: methyl 3-(methylaminomethyl)-1-(2-phenoxysulfonyl-3-phenyl-propyl)indole-5-carboxylate Openeye Name: methyl 3-(methylaminomethyl)-1-(2-phenoxysulfonyl-3-phenyl-propyl)indole-5-carboxylate CAS Name: 3-(methylaminomethyl)-1-(2-phenoxysulfonyl-3-phenylpropyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(methylaminomethyl)-1-(2-phenoxysulfonyl-3-phenylpropyl)indole-5-carboxylate Traditional Name: 3-(methylaminomethyl)-1-(2-phenoxysulfonyl-3-phenyl-propyl)indole-5-carboxylic acid methyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-28-17-22-18-29(26-14-13-21(16-25(22)26)27(30)33-2)19-24(15-20-9-5-3-6-10-20)35(31,32)34-23-11-7-4-8-12-23/h3-14,16,18,24,28H,15,17,19H2,1-2H3