N-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-morpholinosulfonyl-N-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl]benzamide CAS Name: N-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-morpholinosulfonyl-N-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl]benzamide Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6

InChI

InChI=1S/C29H36N2O4S/c1-21-2-6-25(7-3-21)29-17-22-14-23(18-29)16-28(15-22,19-29)20-30-27(32)24-4-8-26(9-5-24)36(33,34)31-10-12-35-13-11-31/h2-9,22-23H,10-20H2,1H3,(H,30,32)/t22-,23+,28?,29?