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

Systemtic Name: 2-[4-[4-(propan-2-yloxymethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(isopropoxymethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[4-(propan-2-yloxymethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(propan-2-yloxymethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(isopropoxymethyl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O4S/c1-17(2)29-16-18-7-9-19(10-8-18)22(26)24-11-13-25(14-12-24)30(27,28)21-6-4-3-5-20(21)15-23/h3-10,17H,11-14,16H2,1-2H3