2-methyl-5-nitro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)benzenesulfonamide Openeye Name: N-[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzenesulfonamide Traditional Name: N-(2-isopropoxy-5-piperidinosulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

InChI

InChI=1S/C21H27N3O7S2/c1-15(2)31-20-10-9-18(33(29,30)23-11-5-4-6-12-23)14-19(20)22-32(27,28)21-13-17(24(25)26)8-7-16(21)3/h7-10,13-15,22H,4-6,11-12H2,1-3H3