2-[4-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]piperazino]sulfonylbenzonitrile Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C25H30N4O5S2/c1-19-15-20(2)18-29(17-19)35(31,32)23-9-7-21(8-10-23)25(30)27-11-13-28(14-12-27)36(33,34)24-6-4-3-5-22(24)16-26/h3-10,19-20H,11-15,17-18H2,1-2H3