N-[2-[3,4-bis(fluoranyl)phenyl]-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide

Systemtic Name: N-[2-[3,4-bis(fluoranyl)phenyl]-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide Openeye Name: N-[2-(3,4-difluorophenyl)-4-[4-(2-methylsulfinylphenyl)-1-piperidyl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide CAS Name: N-[2-(3,4-difluorophenyl)-4-[4-(2-methylsulfinylphenyl)-1-piperidinyl]butyl]-N-methyl-3-nitro-1-naphthalenecarboxamide IUPAC Name: N-[2-(3,4-difluorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-3-nitronaphthalene-1-carboxamide Traditional Name: N-[2-(3,4-difluorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidino]butyl]-N-methyl-3-nitro-1-naphthamide Formula: C34H35F2N3O4S MolecularWeight: 619.721206

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)F)F)C(=O)C4=CC(=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)F)F)C(=O)C4=CC(=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C34H35F2N3O4S/c1-37(34(40)30-21-27(39(41)42)19-25-7-3-4-8-28(25)30)22-26(24-11-12-31(35)32(36)20-24)15-18-38-16-13-23(14-17-38)29-9-5-6-10-33(29)44(2)43/h3-12,19-21,23,26H,13-18,22H2,1-2H3