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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O5S/c1-3-28-17-22-18-29(25-15-14-21(16-24(22)25)27(30)33-2)19-26(20-10-6-4-7-11-20)35(31,32)34-23-12-8-5-9-13-23/h4-16,18,26,28H,3,17,19H2,1-2H3