N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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