4-[3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-oxo-3-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]propyl]benzonitrile CAS Name: 4-[3-[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-[4-(4-sec-butylphenyl)sulfonylpiperazino]propyl]benzonitrile Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N3O3S/c1-3-19(2)22-9-11-23(12-10-22)31(29,30)27-16-14-26(15-17-27)24(28)13-8-20-4-6-21(18-25)7-5-20/h4-7,9-12,19H,3,8,13-17H2,1-2H3