N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(5-bromanyl-2-piperidin-1-ylcarbonyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[5-bromo-2-[oxo(1-piperidinyl)methyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C19H20BrN3O5S MolecularWeight: 482.3482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O5S/c1-13-5-7-15(12-18(13)23(25)26)29(27,28)21-17-11-14(20)6-8-16(17)19(24)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3