N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethoxy-4-propoxy-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethoxy-4-propoxy-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethoxy-4-propoxy-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-ethoxy-4-propoxybenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-ethoxy-4-propoxybenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethoxy-4-propoxy-benzamide Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)OCC

InChI

InChI=1S/C25H34N2O6S/c1-4-16-33-23-12-10-19(17-24(23)32-5-2)25(28)26-21-18-20(11-13-22(21)31-3)34(29,30)27-14-8-6-7-9-15-27/h10-13,17-18H,4-9,14-16H2,1-3H3,(H,26,28)