tert-butyl 4-[1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)indol-4-yl]piperazine-1-carboxylate CAS Name: 4-[1-(benzenesulfonyl)-4-indolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)indol-4-yl]piperazine-1-carboxylate Traditional Name: 4-(1-besylindol-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)30-22(27)25-16-14-24(15-17-25)20-10-7-11-21-19(20)12-13-26(21)31(28,29)18-8-5-4-6-9-18/h4-13H,14-17H2,1-3H3