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

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-1-yl]-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)-2-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]oxazole-4-carbonitrile CAS Name: 5-[4-(diphenylmethyl)-1-piperazinyl]-2-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzhydrylpiperazino)-2-[4-(3-methylpiperidino)sulfonylphenyl]oxazole-4-carbonitrile Formula: C33H35N5O3S MolecularWeight: 581.7277

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C33H35N5O3S/c1-25-9-8-18-38(24-25)42(39,40)29-16-14-28(15-17-29)32-35-30(23-34)33(41-32)37-21-19-36(20-22-37)31(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,31H,8-9,18-22,24H2,1H3