(4-butoxyphenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(4-butoxyphenyl)methanone CAS Name: (4-butoxyphenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(4-butoxyphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(4-butoxyphenyl)methanone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-2-3-17-28-21-11-9-20(10-12-21)22(25)23-13-15-24(16-14-23)29(26,27)18-19-7-5-4-6-8-19/h4-12H,2-3,13-18H2,1H3