N-[2-[(2S)-2-methylpiperidin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2S)-2-methylpiperidin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[[(2S)-2-methyl-1-piperidinyl]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-14-7-4-5-12-21(14)19(23)17-10-2-3-11-18(17)20-28(26,27)16-9-6-8-15(13-16)22(24)25/h2-3,6,8-11,13-14,20H,4-5,7,12H2,1H3/t14-/m0/s1