tert-butyl 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxidanylidene-1H-quinolin-3-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxidanylidene-1H-quinolin-3-yl)indole-1-carboxylate Openeye Name: tert-butyl 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate CAS Name: 6-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-(2-oxo-1H-quinolin-3-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate Traditional Name: 2-(2-keto-1H-quinolin-3-yl)-6-[(4-mesylpiperazino)methyl]indole-1-carboxylic acid tert-butyl ester Formula: C28H32N4O5S MolecularWeight: 536.64248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC2=C1C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)C4=CC5=CC=CC=C5NC4=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=C1C=C(C=C2)CN3CCN(CC3)S(=O)(=O)C)C4=CC5=CC=CC=C5NC4=O

InChI

InChI=1S/C28H32N4O5S/c1-28(2,3)37-27(34)32-24-15-19(18-30-11-13-31(14-12-30)38(4,35)36)9-10-21(24)17-25(32)22-16-20-7-5-6-8-23(20)29-26(22)33/h5-10,15-17H,11-14,18H2,1-4H3,(H,29,33)