tert-butyl 4-[6-methoxy-1-(4-methylphenyl)sulfonyl-indol-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-methoxy-1-(4-methylphenyl)sulfonyl-indol-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-methoxy-1-(p-tolylsulfonyl)indol-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-methoxy-1-(4-methylphenyl)sulfonyl-2-indolyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methoxy-1-(4-methylphenyl)sulfonylindol-2-yl]piperazine-1-carboxylate Traditional Name: 4-(6-methoxy-1-tosyl-indol-2-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)OC)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)OC)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O5S/c1-18-6-10-21(11-7-18)34(30,31)28-22-17-20(32-5)9-8-19(22)16-23(28)26-12-14-27(15-13-26)24(29)33-25(2,3)4/h6-11,16-17H,12-15H2,1-5H3