tert-butyl 4-[[1-(4-fluorophenyl)sulfonylindol-4-yl]-methyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(4-fluorophenyl)sulfonylindol-4-yl]-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(4-fluorophenyl)sulfonylindol-4-yl]-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[1-(4-fluorophenyl)sulfonyl-4-indolyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(4-fluorophenyl)sulfonylindol-4-yl]-methylamino]piperidine-1-carboxylate Traditional Name: 4-[[1-(4-fluorophenyl)sulfonylindol-4-yl]-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30FN3O4S MolecularWeight: 487.586803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O4S/c1-25(2,3)33-24(30)28-15-12-19(13-16-28)27(4)22-6-5-7-23-21(22)14-17-29(23)34(31,32)20-10-8-18(26)9-11-20/h5-11,14,17,19H,12-13,15-16H2,1-4H3