tert-butyl 3-[2-[(4-methylphenyl)sulfonyl-oct-1-ynyl-amino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[(4-methylphenyl)sulfonyl-oct-1-ynyl-amino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[oct-1-ynyl(p-tolylsulfonyl)amino]ethyl]indole-1-carboxylate CAS Name: 3-[2-[(4-methylphenyl)sulfonyl-oct-1-ynylamino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[(4-methylphenyl)sulfonyl-oct-1-ynylamino]ethyl]indole-1-carboxylate Traditional Name: 3-[2-[oct-1-ynyl(tosyl)amino]ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C30H38N2O4S MolecularWeight: 522.69872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CN(CCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCC#CN(CCC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C30H38N2O4S/c1-6-7-8-9-10-13-21-31(37(34,35)26-18-16-24(2)17-19-26)22-20-25-23-32(29(33)36-30(3,4)5)28-15-12-11-14-27(25)28/h11-12,14-19,23H,6-10,20,22H2,1-5H3