N-(4-butylphenyl)-N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-(4-butylphenyl)-N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-(4-butylphenyl)-N-[2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]methanesulfonamide CAS Name: N-(4-butylphenyl)-N-[2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]methanesulfonamide IUPAC Name: N-(4-butylphenyl)-N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide Traditional Name: N-(4-butylphenyl)-N-[2-[4-(3-cyano-2-pyridyl)piperazino]-2-keto-ethyl]methanesulfonamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(CC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N)S(=O)(=O)C

InChI

InChI=1S/C23H29N5O3S/c1-3-4-6-19-8-10-21(11-9-19)28(32(2,30)31)18-22(29)26-13-15-27(16-14-26)23-20(17-24)7-5-12-25-23/h5,7-12H,3-4,6,13-16,18H2,1-2H3