tert-butyl 4-[2-phenyl-1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-phenyl-1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(benzenesulfonyl)-2-phenyl-indol-4-yl]piperazine-1-carboxylate CAS Name: 4-[1-(benzenesulfonyl)-2-phenyl-4-indolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(benzenesulfonyl)-2-phenylindol-4-yl]piperazine-1-carboxylate Traditional Name: 4-(1-besyl-2-phenyl-indol-4-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=C(N3S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC3=C2C=C(N3S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O4S/c1-29(2,3)36-28(33)31-19-17-30(18-20-31)25-15-10-16-26-24(25)21-27(22-11-6-4-7-12-22)32(26)37(34,35)23-13-8-5-9-14-23/h4-16,21H,17-20H2,1-3H3