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

Systemtic Name: 3-methoxy-N-[[5-[3-(octylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 3-methoxy-N-[[5-[3-(octylamino)pyrrolidin-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: 3-methoxy-N-[[5-[[3-(octylamino)-1-pyrrolidinyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 3-methoxy-N-[[5-[3-(octylamino)pyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 3-methoxy-N-[[5-[3-(octylamino)pyrrolidino]sulfonyl-2-thienyl]methyl]benzamide Formula: C25H37N3O4S2 MolecularWeight: 507.70898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCCCNC1CCN(C1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H37N3O4S2/c1-3-4-5-6-7-8-15-26-21-14-16-28(19-21)34(30,31)24-13-12-23(33-24)18-27-25(29)20-10-9-11-22(17-20)32-2/h9-13,17,21,26H,3-8,14-16,18-19H2,1-2H3,(H,27,29)