tert-butyl 4-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-methylindolin-1-yl)sulfonylbenzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(2-methylindolin-1-yl)sulfonylbenzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O5S/c1-18-16-19-8-5-6-11-22(19)28(18)34(31,32)21-10-7-9-20(17-21)23(29)26-12-14-27(15-13-26)24(30)33-25(2,3)4/h5-11,17-18H,12-16H2,1-4H3