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

Systemtic Name: N-[[5-[4-(3-imidazol-1-ylpropylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[5-[4-(3-imidazol-1-ylpropylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-[[4-[3-(1-imidazolyl)propylamino]-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[4-(3-imidazol-1-ylpropylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-[4-(3-imidazol-1-ylpropylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]-3-methoxy-benzamide Formula: C25H33N5O4S2 MolecularWeight: 531.69062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC(CC3)NCCCN4C=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC(CC3)NCCCN4C=CN=C4

InChI

InChI=1S/C25H33N5O4S2/c1-34-22-7-2-5-20(17-22)25(31)28-18-23-8-9-24(35-23)36(32,33)30-14-3-6-21(10-15-30)27-11-4-13-29-16-12-26-19-29/h2,5,7-9,12,16-17,19,21,27H,3-4,6,10-11,13-15,18H2,1H3,(H,28,31)