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

Systemtic Name: (4-butylphenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-butylphenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(4-butylphenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-butylphenyl)methanone Traditional Name: (4-besylpiperazino)-(4-butylphenyl)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-2-3-7-18-10-12-19(13-11-18)21(24)22-14-16-23(17-15-22)27(25,26)20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-17H2,1H3