N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-methoxy-2-nitro-benzenesulfonamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-4-methoxy-2-nitro-benzenesulfonamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-4-methoxy-2-nitro-benzenesulfonamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-4-methoxy-2-nitrobenzenesulfonamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-4-methoxy-2-nitro-benzenesulfonamide Formula: C20H25N3O8S2 MolecularWeight: 499.5578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O8S2/c1-3-31-18-9-7-15(13-20(18)33(28,29)22-11-5-4-6-12-22)21-32(26,27)19-10-8-16(30-2)14-17(19)23(24)25/h7-10,13-14,21H,3-6,11-12H2,1-2H3