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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-[4-(phenylmethyl)piperidin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzyl-1-piperidyl)oxazole-4-carbonitrile CAS Name: 2-[4-(1-azepanylsulfonyl)phenyl]-5-[4-(phenylmethyl)-1-piperidinyl]-4-oxazolecarbonitrile IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-benzylpiperidino)oxazole-4-carbonitrile Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=C(O3)N4CCC(CC4)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C28H32N4O3S/c29-21-26-28(31-18-14-23(15-19-31)20-22-8-4-3-5-9-22)35-27(30-26)24-10-12-25(13-11-24)36(33,34)32-16-6-1-2-7-17-32/h3-5,8-13,23H,1-2,6-7,14-20H2