tert-butyl 5-bromanyl-3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate Openeye Name: tert-butyl 5-bromo-3-[3-(p-tolylsulfonylamino)prop-1-ynyl]indole-1-carboxylate CAS Name: 5-bromo-3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate Traditional Name: 5-bromo-3-[3-(tosylamino)prop-1-ynyl]indole-1-carboxylic acid tert-butyl ester Formula: C23H23BrN2O4S MolecularWeight: 503.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CN(C3=C2C=C(C=C3)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CN(C3=C2C=C(C=C3)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H23BrN2O4S/c1-16-7-10-19(11-8-16)31(28,29)25-13-5-6-17-15-26(22(27)30-23(2,3)4)21-12-9-18(24)14-20(17)21/h7-12,14-15,25H,13H2,1-4H3