N-[2-(4-chlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)-4-[4-(2-methylsulfinylphenyl)-1-piperidyl]butyl]-N-methyl-3-nitro-naphthalene-1-carboxamide CAS Name: N-[2-(4-chlorophenyl)-4-[4-(2-methylsulfinylphenyl)-1-piperidinyl]butyl]-N-methyl-3-nitro-1-naphthalenecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methyl-3-nitronaphthalene-1-carboxamide Traditional Name: N-[2-(4-chlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidino]butyl]-N-methyl-3-nitro-1-naphthamide Formula: C34H36ClN3O4S MolecularWeight: 618.18534

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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)Cl)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)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C34H36ClN3O4S/c1-36(34(39)32-22-29(38(40)41)21-26-7-3-4-8-30(26)32)23-27(24-11-13-28(35)14-12-24)17-20-37-18-15-25(16-19-37)31-9-5-6-10-33(31)43(2)42/h3-14,21-22,25,27H,15-20,23H2,1-2H3