tert-butyl 2-bromanyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-bromanyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 2-bromo-3-[2-(p-tolylsulfonylamino)ethyl]indole-1-carboxylate CAS Name: 2-bromo-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-bromo-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate Traditional Name: 2-bromo-3-[2-(tosylamino)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(N(C3=CC=CC=C32)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C22H25BrN2O4S/c1-15-9-11-16(12-10-15)30(27,28)24-14-13-18-17-7-5-6-8-19(17)25(20(18)23)21(26)29-22(2,3)4/h5-12,24H,13-14H2,1-4H3