N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-benzamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-[1-(4-fluorophenyl)ethyl]-N-methyl-benzamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)N(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)F)N(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30FN3O3S/c1-21(23-11-13-25(28)14-12-23)29(2)27(32)24-9-6-10-26(19-24)35(33,34)31-17-15-30(16-18-31)20-22-7-4-3-5-8-22/h3-14,19,21H,15-18,20H2,1-2H3