5-(azepan-1-yl)-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]oxazole-4-carbonitrile Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCCCCC4)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCCCCC4)C#N

InChI

InChI=1S/C22H28N4O3S/c1-17-7-6-14-26(16-17)30(27,28)19-10-8-18(9-11-19)21-24-20(15-23)22(29-21)25-12-4-2-3-5-13-25/h8-11,17H,2-7,12-14,16H2,1H3/t17-/m0/s1