N-(2-methyl-3-nitro-phenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-14-6-3-4-13-22(14)29(27,28)17-11-9-16(10-12-17)20(24)21-18-7-5-8-19(15(18)2)23(25)26/h5,7-12,14H,3-4,6,13H2,1-2H3,(H,21,24)/t14-/m0/s1