4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzonitrile Traditional Name: 4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]benzonitrile Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H15N3O3S2/c17-12-13-3-5-14(6-4-13)16(20)18-7-9-19(10-8-18)24(21,22)15-2-1-11-23-15/h1-6,11H,7-10H2