N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxyphenoxy)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxyphenoxy)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxyphenoxy)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-methoxyphenoxy)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methoxyphenoxy)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-methoxyphenoxy)propionamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O5S/c1-17-8-9-19(16-22(17)31(27,28)25-14-6-4-5-7-15-25)24-23(26)18(2)30-21-12-10-20(29-3)11-13-21/h8-13,16,18H,4-7,14-15H2,1-3H3,(H,24,26)