tert-butyl 4-[[3-(phenylsulfonyl)indol-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(phenylsulfonyl)indol-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(benzenesulfonyl)indol-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[3-(benzenesulfonyl)-1-indolyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(benzenesulfonyl)indol-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[(3-besylindol-1-yl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C=C(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O4S/c1-25(2,3)31-24(28)26-15-13-19(14-16-26)17-27-18-23(21-11-7-8-12-22(21)27)32(29,30)20-9-5-4-6-10-20/h4-12,18-19H,13-17H2,1-3H3