3-azanyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-N-phenyl-benzamide

Systemtic Name: 3-azanyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-N-phenyl-benzamide Openeye Name: 3-amino-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-methyl-N-phenyl-benzamide CAS Name: 3-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-4-methyl-N-phenylbenzamide IUPAC Name: 3-amino-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-N-phenylbenzamide Traditional Name: 3-amino-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-4-methyl-N-phenyl-benzamide Formula: C27H29FN4O4S MolecularWeight: 524.606963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4)N

InChI

InChI=1S/C27H29FN4O4S/c1-19-8-9-20(16-23(19)29)27(34)32(22-6-4-3-5-7-22)18-26(33)31-14-12-30(13-15-31)24-11-10-21(28)17-25(24)37(2,35)36/h3-11,16-17H,12-15,18,29H2,1-2H3