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

Systemtic Name: 2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[4-(3-methylpiperidino)sulfonylphenyl]-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-14-5-4-12-22(13-14)29(27,28)17-10-8-16(9-11-17)21-20(24)18-6-3-7-19(15(18)2)23(25)26/h3,6-11,14H,4-5,12-13H2,1-2H3,(H,21,24)