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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC(CC)CNC1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C27H41N3O4S2/c1-4-6-9-21(5-2)19-28-23-11-8-16-30(17-15-23)36(32,33)26-14-13-25(35-26)20-29-27(31)22-10-7-12-24(18-22)34-3/h7,10,12-14,18,21,23,28H,4-6,8-9,11,15-17,19-20H2,1-3H3,(H,29,31)