ethyl 1-(4-bromophenyl)sulfonyl-3-(2,2-dimethylpropyl)-5-methoxy-2H-indole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)sulfonyl-3-(2,2-dimethylpropyl)-5-methoxy-2H-indole-3-carboxylate Openeye Name: ethyl 1-(4-bromophenyl)sulfonyl-3-(2,2-dimethylpropyl)-5-methoxy-indoline-3-carboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-3-(2,2-dimethylpropyl)-5-methoxy-2H-indole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-bromophenyl)sulfonyl-3-(2,2-dimethylpropyl)-5-methoxy-2H-indole-3-carboxylate Traditional Name: 1-brosyl-5-methoxy-3-neopentyl-indoline-3-carboxylic acid ethyl ester Formula: C23H28BrNO5S MolecularWeight: 510.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)Br)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1(CN(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)Br)CC(C)(C)C

InChI

InChI=1S/C23H28BrNO5S/c1-6-30-21(26)23(14-22(2,3)4)15-25(20-12-9-17(29-5)13-19(20)23)31(27,28)18-10-7-16(24)8-11-18/h7-13H,6,14-15H2,1-5H3