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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(3-methylpiperidino)sulfonylphenyl]-5-(piperonylamino)oxazole-4-carbonitrile Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)NCC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C24H24N4O5S/c1-16-3-2-10-28(14-16)34(29,30)19-7-5-18(6-8-19)23-27-20(12-25)24(33-23)26-13-17-4-9-21-22(11-17)32-15-31-21/h4-9,11,16,26H,2-3,10,13-15H2,1H3