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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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