4-[4-(4-propan-2-ylsulfonylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-propan-2-ylsulfonylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(4-isopropylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(4-propan-2-ylsulfonylphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-propan-2-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-isopropylsulfonylbenzoyl)piperazino]sulfonylbenzonitrile Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O5S2/c1-16(2)30(26,27)19-9-5-18(6-10-19)21(25)23-11-13-24(14-12-23)31(28,29)20-7-3-17(15-22)4-8-20/h3-10,16H,11-14H2,1-2H3