4-[4-[4-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-[(3-methoxyphenyl)methyl]thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[4-[(3-methoxyphenyl)methyl]-2-thiazolyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-m-anisylthiazol-2-yl)piperazino]sulfonylbenzonitrile Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CSC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N4O3S2/c1-29-20-4-2-3-18(14-20)13-19-16-30-22(24-19)25-9-11-26(12-10-25)31(27,28)21-7-5-17(15-23)6-8-21/h2-8,14,16H,9-13H2,1H3