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

Systemtic Name: tert-butyl 4-[[4-bromanyl-1-(phenylsulfonyl)indol-3-yl]sulfonylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(benzenesulfonyl)-4-bromo-indol-3-yl]sulfonylamino]piperidine-1-carboxylate CAS Name: 4-[[1-(benzenesulfonyl)-4-bromo-3-indolyl]sulfonylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(benzenesulfonyl)-4-bromoindol-3-yl]sulfonylamino]piperidine-1-carboxylate Traditional Name: 4-[(1-besyl-4-bromo-indol-3-yl)sulfonylamino]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H28BrN3O6S2 MolecularWeight: 598.52962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)C2=CN(C3=C2C(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)C2=CN(C3=C2C(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28BrN3O6S2/c1-24(2,3)34-23(29)27-14-12-17(13-15-27)26-35(30,31)21-16-28(20-11-7-10-19(25)22(20)21)36(32,33)18-8-5-4-6-9-18/h4-11,16-17,26H,12-15H2,1-3H3