N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-butoxy-3-ethoxy-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-butoxy-3-ethoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-butoxy-3-ethoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-butoxy-3-ethoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-butoxy-3-ethoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-butoxy-3-ethoxy-benzamide Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C26H36N2O5S/c1-4-6-17-33-23-14-12-21(18-24(23)32-5-2)26(29)27-22-13-11-20(3)25(19-22)34(30,31)28-15-9-7-8-10-16-28/h11-14,18-19H,4-10,15-17H2,1-3H3,(H,27,29)