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

Systemtic Name: 5-(3-ethoxypropylamino)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(3-ethoxypropylamino)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(3-ethoxypropylamino)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(3-ethoxypropylamino)-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(3-ethoxypropylamino)-2-[4-(4-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C#N

Isomeric SMILES

CCOCCCNC1=C(N=C(O1)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C)C#N

InChI

InChI=1S/C21H28N4O4S/c1-3-28-14-4-11-23-21-19(15-22)24-20(29-21)17-5-7-18(8-6-17)30(26,27)25-12-9-16(2)10-13-25/h5-8,16,23H,3-4,9-14H2,1-2H3