N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonyl-phenyl]-2-nitro-benzamide

Systemtic Name: N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonyl-phenyl]-2-nitro-benzamide Openeye Name: N-[2-(3-methylphenoxy)-5-(1-piperidylsulfonyl)phenyl]-2-nitro-benzamide CAS Name: N-[2-(3-methylphenoxy)-5-(1-piperidinylsulfonyl)phenyl]-2-nitrobenzamide IUPAC Name: N-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylphenyl]-2-nitrobenzamide Traditional Name: N-[2-(3-methylphenoxy)-5-piperidinosulfonyl-phenyl]-2-nitro-benzamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O6S/c1-18-8-7-9-19(16-18)34-24-13-12-20(35(32,33)27-14-5-2-6-15-27)17-22(24)26-25(29)21-10-3-4-11-23(21)28(30)31/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,26,29)