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

Systemtic Name: 2-[4-(4-propan-2-yloxyphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-isopropoxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-(4-propan-2-yloxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-isopropoxybenzoyl)piperazino]sulfonylbenzonitrile Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N3O4S/c1-16(2)28-19-9-7-17(8-10-19)21(25)23-11-13-24(14-12-23)29(26,27)20-6-4-3-5-18(20)15-22/h3-10,16H,11-14H2,1-2H3