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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-14(2)12-22-20-18(11-21)23-19(27-20)16-6-8-17(9-7-16)28(25,26)24-10-4-5-15(3)13-24/h6-9,14-15,22H,4-5,10,12-13H2,1-3H3