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

Systemtic Name: N-[[5-[4-(dodecylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[5-[4-(dodecylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-[[4-(dodecylamino)-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[4-(dodecylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-[4-(laurylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide Formula: C31H49N3O4S2 MolecularWeight: 591.86846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C31H49N3O4S2/c1-3-4-5-6-7-8-9-10-11-12-21-32-27-16-14-22-34(23-20-27)40(36,37)30-19-18-29(39-30)25-33-31(35)26-15-13-17-28(24-26)38-2/h13,15,17-19,24,27,32H,3-12,14,16,20-23,25H2,1-2H3,(H,33,35)