2-[4-[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(5-morpholinosulfonyl-2-thienyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(5-morpholinosulfonyl-2-thienyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H24N4O6S3 MolecularWeight: 524.63346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H24N4O6S3/c22-16-17-3-1-2-4-19(17)33(27,28)24-9-7-23(8-10-24)20(26)15-18-5-6-21(32-18)34(29,30)25-11-13-31-14-12-25/h1-6H,7-15H2