[3-(ethoxymethyl)-4-methoxy-phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(ethoxymethyl)-4-methoxy-phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone CAS Name: [3-(ethoxymethyl)-4-methoxyphenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(ethoxymethyl)-4-methoxyphenyl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O5S/c1-3-29-16-20-15-19(9-10-21(20)28-2)22(25)23-11-13-24(14-12-23)30(26,27)17-18-7-5-4-6-8-18/h4-10,15H,3,11-14,16-17H2,1-2H3