2-[4-[3-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-[(4-benzyl-1-piperidyl)sulfonyl]benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(4-benzylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(4-benzylpiperidino)sulfonylbenzoyl]piperazino]sulfonylbenzonitrile Formula: C30H32N4O5S2 MolecularWeight: 592.72888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C30H32N4O5S2/c31-23-27-9-4-5-12-29(27)41(38,39)34-19-17-32(18-20-34)30(35)26-10-6-11-28(22-26)40(36,37)33-15-13-25(14-16-33)21-24-7-2-1-3-8-24/h1-12,22,25H,13-21H2