(4-butoxyphenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-butoxyphenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(4-butoxyphenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-butoxyphenyl)methanone Traditional Name: (4-besylpiperazino)-(4-butoxyphenyl)methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-2-3-17-27-19-11-9-18(10-12-19)21(24)22-13-15-23(16-14-22)28(25,26)20-7-5-4-6-8-20/h4-12H,2-3,13-17H2,1H3