tert-butyl 5-[4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]piperazin-1-yl]carbonyl-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 5-[4-[(5-chloranyl-1H-indol-2-yl)sulfonyl]piperazin-1-yl]carbonyl-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 5-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carbonyl]isoindoline-2-carboxylate CAS Name: 5-[[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-piperazinyl]-oxomethyl]-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carbonyl]-1,3-dihydroisoindole-2-carboxylate Traditional Name: 5-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazine-1-carbonyl]isoindoline-2-carboxylic acid tert-butyl ester Formula: C26H29ClN4O5S MolecularWeight: 545.05026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C26H29ClN4O5S/c1-26(2,3)36-25(33)30-15-18-5-4-17(12-20(18)16-30)24(32)29-8-10-31(11-9-29)37(34,35)23-14-19-13-21(27)6-7-22(19)28-23/h4-7,12-14,28H,8-11,15-16H2,1-3H3