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

Systemtic Name: tert-butyl 4-[[4-cyano-1-(phenylsulfonyl)indol-3-yl]sulfonylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(benzenesulfonyl)-4-cyano-indol-3-yl]sulfonylamino]piperidine-1-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-4-cyano-3-indolyl]sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(benzenesulfonyl)-4-cyanoindol-3-yl]sulfonylamino]piperidine-1-carboxylate Traditional Name: 4-[(1-besyl-4-cyano-indol-3-yl)sulfonylamino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H28N4O6S2 MolecularWeight: 544.64302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)C2=CN(C3=CC=CC(=C32)C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)C2=CN(C3=CC=CC(=C32)C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O6S2/c1-25(2,3)35-24(30)28-14-12-19(13-15-28)27-36(31,32)22-17-29(21-11-7-8-18(16-26)23(21)22)37(33,34)20-9-5-4-6-10-20/h4-11,17,19,27H,12-15H2,1-3H3