tert-butyl 5-[1-(4-methylphenyl)sulfonylindol-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 5-[1-(4-methylphenyl)sulfonylindol-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 5-[1-(p-tolylsulfonyl)indol-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate CAS Name: 5-[1-(4-methylphenyl)sulfonyl-3-indolyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[1-(4-methylphenyl)sulfonylindol-3-yl]-3,4-dihydro-2H-pyridine-1-carboxylate Traditional Name: 5-(1-tosylindol-3-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CN(CCC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CN(CCC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H28N2O4S/c1-18-11-13-20(14-12-18)32(29,30)27-17-22(21-9-5-6-10-23(21)27)19-8-7-15-26(16-19)24(28)31-25(2,3)4/h5-6,9-14,16-17H,7-8,15H2,1-4H3