N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C18H20ClN3O6S2 MolecularWeight: 473.9509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6S2/c1-13-5-7-15(22(23)24)12-17(13)29(25,26)20-14-6-8-16(19)18(11-14)30(27,28)21-9-3-2-4-10-21/h5-8,11-12,20H,2-4,9-10H2,1H3