N-[7,7-bis(4-fluorophenyl)-2-oxidanyl-3-piperazin-1-yl-heptyl]-N-phenyl-methanesulfonamide

Systemtic Name: N-[7,7-bis(4-fluorophenyl)-2-oxidanyl-3-piperazin-1-yl-heptyl]-N-phenyl-methanesulfonamide Openeye Name: N-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazin-1-yl-heptyl]-N-phenyl-methanesulfonamide CAS Name: N-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-(1-piperazinyl)heptyl]-N-phenylmethanesulfonamide IUPAC Name: N-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazin-1-ylheptyl]-N-phenylmethanesulfonamide Traditional Name: N-[7,7-bis(4-fluorophenyl)-2-hydroxy-3-piperazino-heptyl]-N-phenyl-methanesulfonamide Formula: C30H37F2N3O3S MolecularWeight: 557.694886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(C(CCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)N3CCNCC3)O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N(CC(C(CCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)N3CCNCC3)O)C4=CC=CC=C4

InChI

InChI=1S/C30H37F2N3O3S/c1-39(37,38)35(27-6-3-2-4-7-27)22-30(36)29(34-20-18-33-19-21-34)9-5-8-28(23-10-14-25(31)15-11-23)24-12-16-26(32)17-13-24/h2-4,6-7,10-17,28-30,33,36H,5,8-9,18-22H2,1H3