5-[[(2S)-butan-2-yl]amino]-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N

Isomeric SMILES

CC[C@H](C)NC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C#N

InChI

InChI=1S/C18H22N4O3S/c1-3-13(2)20-18-16(12-19)21-17(25-18)14-6-8-15(9-7-14)26(23,24)22-10-4-5-11-22/h6-9,13,20H,3-5,10-11H2,1-2H3/t13-/m0/s1