[4-(phenylmethyl)sulfonylpiperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(phenylmethyl)sulfonylpiperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(phenylmethyl)sulfonyl-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3,4,5-trimethoxyphenyl)methanone Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O6S/c1-27-18-13-17(14-19(28-2)20(18)29-3)21(24)22-9-11-23(12-10-22)30(25,26)15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3