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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethoxy-3-methoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethoxy-3-methoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-ethoxy-3-methoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-ethoxy-3-methoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethoxy-3-methoxy-benzamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H30N2O5S/c1-4-30-20-12-10-18(15-21(20)29-3)23(26)24-19-11-9-17(2)22(16-19)31(27,28)25-13-7-5-6-8-14-25/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,24,26)