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

Systemtic Name: tert-butyl 3,5-bis[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate Openeye Name: tert-butyl 3,5-bis[3-(p-tolylsulfonylamino)prop-1-ynyl]indole-1-carboxylate CAS Name: 3,5-bis[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,5-bis[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate Traditional Name: 3,5-bis[3-(tosylamino)prop-1-ynyl]indole-1-carboxylic acid tert-butyl ester Formula: C33H33N3O6S2 MolecularWeight: 631.76162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CC3=C(C=C2)N(C=C3C#CCNS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC#CC2=CC3=C(C=C2)N(C=C3C#CCNS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C33H33N3O6S2/c1-24-10-15-28(16-11-24)43(38,39)34-20-6-8-26-14-19-31-30(22-26)27(23-36(31)32(37)42-33(3,4)5)9-7-21-35-44(40,41)29-17-12-25(2)13-18-29/h10-19,22-23,34-35H,20-21H2,1-5H3