methyl 4-[[4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxalin-1-yl]carbonylamino]adamantane-1-carboxylate

Systemtic Name: methyl 4-[[4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxalin-1-yl]carbonylamino]adamantane-1-carboxylate Openeye Name: methyl 4-[[4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carbonyl]amino]adamantane-1-carboxylate CAS Name: 4-[[[4-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2,3-dihydroquinoxalin-1-yl]-oxomethyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2,3-dihydroquinoxaline-1-carbonyl]amino]adamantane-1-carboxylate Traditional Name: 4-[[4-[4-(4-mesylpiperazino)phenyl]-2,3-dihydroquinoxaline-1-carbonyl]amino]adamantane-1-carboxylic acid methyl ester Formula: C32H41N5O5S MolecularWeight: 607.76344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)C(C(C3)C2)NC(=O)N4CCN(C5=CC=CC=C54)C6=CC=C(C=C6)N7CCN(CC7)S(=O)(=O)C

Isomeric SMILES

COC(=O)C12CC3CC(C1)C(C(C3)C2)NC(=O)N4CCN(C5=CC=CC=C54)C6=CC=C(C=C6)N7CCN(CC7)S(=O)(=O)C

InChI

InChI=1S/C32H41N5O5S/c1-42-30(38)32-19-22-17-23(20-32)29(24(18-22)21-32)33-31(39)37-16-15-36(27-5-3-4-6-28(27)37)26-9-7-25(8-10-26)34-11-13-35(14-12-34)43(2,40)41/h3-10,22-24,29H,11-21H2,1-2H3,(H,33,39)