N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-phenethyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-methyl-N-phenethyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methyl-N-phenethyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-4-methyl-N-phenethylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-phenethylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-4-methyl-N-phenethyl-benzenesulfonamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-20-11-13-22(14-12-20)29(27,28)25(18-15-21-9-5-4-6-10-21)19-23(26)24-16-7-2-3-8-17-24/h4-6,9-14H,2-3,7-8,15-19H2,1H3