1-(phenylmethyl)-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione

Systemtic Name: 1-(phenylmethyl)-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione Openeye Name: 1-benzyl-4-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidyl]piperazine-2,3-dione CAS Name: 1-(phenylmethyl)-4-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]piperazine-2,3-dione IUPAC Name: 1-benzyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione Traditional Name: 1-benzyl-4-(1-mesitylsulfonyl-4-piperidyl)piperazine-2,3-quinone Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)N3CCN(C(=O)C3=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)N3CCN(C(=O)C3=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H31N3O4S/c1-18-15-19(2)23(20(3)16-18)33(31,32)27-11-9-22(10-12-27)28-14-13-26(24(29)25(28)30)17-21-7-5-4-6-8-21/h4-8,15-16,22H,9-14,17H2,1-3H3