(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-methylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-methylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(o-tolylmethyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[(2-methylphenyl)methyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2-methylphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-methylbenzyl)acrylamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O3S/c1-19-8-4-5-9-21(19)18-24-23(26)15-12-20-10-13-22(14-11-20)29(27,28)25-16-6-2-3-7-17-25/h4-5,8-15H,2-3,6-7,16-18H2,1H3,(H,24,26)/b15-12+