1-[4-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[[(3S)-3-[methyl(phenethyl)amino]-1-piperidyl]sulfonyl]phenyl]ethanone CAS Name: 1-[4-[[(3S)-3-[methyl(phenethyl)amino]-1-piperidinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[(3S)-3-[methyl(phenethyl)amino]piperidino]sulfonylphenyl]ethanone Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)N(C)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-18(25)20-10-12-22(13-11-20)28(26,27)24-15-6-9-21(17-24)23(2)16-14-19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3/t21-/m0/s1