N-[4-(azepan-1-yl)phenyl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-tosyl-propionamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-18-6-12-21(13-7-18)28(26,27)17-14-22(25)23-19-8-10-20(11-9-19)24-15-4-2-3-5-16-24/h6-13H,2-5,14-17H2,1H3,(H,23,25)