N-[[5-[3-(1-adamantylmethylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide

Systemtic Name: N-[[5-[3-(1-adamantylmethylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[5-[3-(1-adamantylmethylamino)pyrrolidin-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-[[3-(1-adamantylmethylamino)-1-pyrrolidinyl]sulfonyl]-2-thiophenyl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[3-(1-adamantylmethylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-[3-(1-adamantylmethylamino)pyrrolidino]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide Formula: C28H37N3O4S2 MolecularWeight: 543.74108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCC(C3)NCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCC(C3)NCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H37N3O4S2/c1-35-24-4-2-3-22(12-24)27(32)29-16-25-5-6-26(36-25)37(33,34)31-8-7-23(17-31)30-18-28-13-19-9-20(14-28)11-21(10-19)15-28/h2-6,12,19-21,23,30H,7-11,13-18H2,1H3,(H,29,32)