2-[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-methyl-3-morpholinosulfonyl-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-methyl-3-morpholinosulfonyl-benzoyl)piperazino]sulfonylbenzonitrile Formula: C23H26N4O6S2 MolecularWeight: 518.60574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H26N4O6S2/c1-18-6-7-19(16-22(18)35(31,32)27-12-14-33-15-13-27)23(28)25-8-10-26(11-9-25)34(29,30)21-5-3-2-4-20(21)17-24/h2-7,16H,8-15H2,1H3