3-methoxy-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

Systemtic Name: 3-methoxy-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 3-methoxy-N-[[5-[4-(octylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: 3-methoxy-N-[[5-[[4-(octylamino)-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 3-methoxy-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 3-methoxy-N-[[5-[4-(octylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]benzamide Formula: C27H41N3O4S2 MolecularWeight: 535.76214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCCCNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C27H41N3O4S2/c1-3-4-5-6-7-8-17-28-23-12-10-18-30(19-16-23)36(32,33)26-15-14-25(35-26)21-29-27(31)22-11-9-13-24(20-22)34-2/h9,11,13-15,20,23,28H,3-8,10,12,16-19,21H2,1-2H3,(H,29,31)