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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-hydroxyphenyl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-hydroxyphenyl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(2-hydroxyphenyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(2-hydroxyphenyl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(2-hydroxyphenyl)propionamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-17-10-12-19(23-22(26)13-11-18-8-4-5-9-20(18)25)16-21(17)29(27,28)24-14-6-2-3-7-15-24/h4-5,8-10,12,16,25H,2-3,6-7,11,13-15H2,1H3,(H,23,26)