N-[[3-(4-methylphenyl)-1-adamantyl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[3-(p-tolyl)-1-adamantyl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[3-(4-methylphenyl)-1-adamantyl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[3-(p-tolyl)-1-adamantyl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C29H36N2O3S MolecularWeight: 492.67274

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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)N6CCCC6

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCC6

InChI

InChI=1S/C29H36N2O3S/c1-21-4-8-25(9-5-21)29-17-22-14-23(18-29)16-28(15-22,19-29)20-30-27(32)24-6-10-26(11-7-24)35(33,34)31-12-2-3-13-31/h4-11,22-23H,2-3,12-20H2,1H3,(H,30,32)