5-(butylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(butylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(butylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)oxazole-4-carbonitrile CAS Name: 5-(butylamino)-2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(butylamino)-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(butylamino)-2-(4-pyrrolidinosulfonylphenyl)oxazole-4-carbonitrile Formula: C18H22N4O3S MolecularWeight: 374.45728

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)N3CCCC3)C#N

Isomeric SMILES

CCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N

InChI

InChI=1S/C18H22N4O3S/c1-2-3-10-20-18-16(13-19)21-17(25-18)14-6-8-15(9-7-14)26(23,24)22-11-4-5-12-22/h6-9,20H,2-5,10-12H2,1H3