2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[4-(diphenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[4-(diphenylmethyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzhydrylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[4-(diphenylmethyl)-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzhydrylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzhydrylpiperazino)oxazole-4-carbonitrile Formula: C33H35N5O3S MolecularWeight: 581.7277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)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

C1CCCN(CC1)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/c34-25-30-33(37-23-21-36(22-24-37)31(26-11-5-3-6-12-26)27-13-7-4-8-14-27)41-32(35-30)28-15-17-29(18-16-28)42(39,40)38-19-9-1-2-10-20-38/h3-8,11-18,31H,1-2,9-10,19-24H2