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

Systemtic Name: 4-chloranyl-N-(4-methyl-3-nitro-phenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: 4-chloro-N-(4-methyl-3-nitro-phenyl)-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: 4-chloro-N-(4-methyl-3-nitrophenyl)-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 4-chloro-N-(4-methyl-3-nitrophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: 4-chloro-N-(4-methyl-3-nitro-phenyl)-3-[(3S)-3-methylpiperidino]sulfonyl-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-13-4-3-9-23(12-13)30(28,29)19-10-15(6-8-17(19)21)20(25)22-16-7-5-14(2)18(11-16)24(26)27/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,25)/t13-/m0/s1