5-[(2-chlorophenyl)methylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[(2-chlorophenyl)methylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[(2-chlorophenyl)methylamino]-2-[4-(1-piperidylsulfonyl)phenyl]oxazole-4-carbonitrile CAS Name: 5-[(2-chlorophenyl)methylamino]-2-[4-(1-piperidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-[(2-chlorophenyl)methylamino]-2-(4-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-[(2-chlorobenzyl)amino]-2-(4-piperidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C22H21ClN4O3S/c23-19-7-3-2-6-17(19)15-25-22-20(14-24)26-21(30-22)16-8-10-18(11-9-16)31(28,29)27-12-4-1-5-13-27/h2-3,6-11,25H,1,4-5,12-13,15H2