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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-methylphenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(p-tolylmethyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methylbenzyl)propionamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-19-6-8-21(9-7-19)18-24-23(26)15-12-20-10-13-22(14-11-20)29(27,28)25-16-4-2-3-5-17-25/h6-11,13-14H,2-5,12,15-18H2,1H3,(H,24,26)