N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,4,5-trimethoxy-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,4,5-trimethoxy-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,4,5-trimethoxy-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2,4,5-trimethoxybenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2,4,5-trimethoxybenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2,4,5-trimethoxy-benzamide Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2OC)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2OC)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O6S/c1-16-9-10-17(13-22(16)32(27,28)25-11-7-5-6-8-12-25)24-23(26)18-14-20(30-3)21(31-4)15-19(18)29-2/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,24,26)