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

Systemtic Name: tert-butyl 3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[3-(p-tolylsulfonylamino)prop-1-ynyl]indole-1-carboxylate CAS Name: 3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate Traditional Name: 3-[3-(tosylamino)prop-1-ynyl]indole-1-carboxylic acid tert-butyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H24N2O4S/c1-17-11-13-19(14-12-17)30(27,28)24-15-7-8-18-16-25(22(26)29-23(2,3)4)21-10-6-5-9-20(18)21/h5-6,9-14,16,24H,15H2,1-4H3