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

Systemtic Name: 5-(butylamino)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(butylamino)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(butylamino)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(butylamino)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(butylamino)-2-[4-(4-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C20H26N4O3S MolecularWeight: 402.51044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C#N

Isomeric SMILES

CCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C#N

InChI

InChI=1S/C20H26N4O3S/c1-3-4-11-22-20-18(14-21)23-19(27-20)16-5-7-17(8-6-16)28(25,26)24-12-9-15(2)10-13-24/h5-8,15,22H,3-4,9-13H2,1-2H3