N-[4-[(3S)-3-methylpiperidin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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