2-[4-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(4-ethyl-3-morpholinosulfonyl-benzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(4-ethyl-3-morpholinosulfonyl-benzoyl)piperazino]isonicotinonitrile Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H27N5O4S/c1-2-19-3-4-20(16-21(19)33(30,31)28-11-13-32-14-12-28)23(29)27-9-7-26(8-10-27)22-15-18(17-24)5-6-25-22/h3-6,15-16H,2,7-14H2,1H3