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

Systemtic Name: 4-chloranyl-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-(2-methoxy-5-piperidinosulfonyl-phenyl)-3-nitro-benzenesulfonamide Formula: C18H20ClN3O7S2 MolecularWeight: 489.9503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O7S2/c1-29-18-8-6-14(31(27,28)21-9-3-2-4-10-21)11-16(18)20-30(25,26)13-5-7-15(19)17(12-13)22(23)24/h5-8,11-12,20H,2-4,9-10H2,1H3