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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)N2CCCCCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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