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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenyl-propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenyl-propanamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-phenylpropanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-phenylpropanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-phenyl-propionamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-18-11-13-20(23-22(25)14-12-19-9-5-4-6-10-19)17-21(18)28(26,27)24-15-7-2-3-8-16-24/h4-6,9-11,13,17H,2-3,7-8,12,14-16H2,1H3,(H,23,25)