N-(2-chloranyl-5-nitro-phenyl)-2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-methyl-5-(4-methylpiperidino)sulfonyl-benzamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O5S/c1-13-7-9-23(10-8-13)30(28,29)16-5-3-14(2)17(12-16)20(25)22-19-11-15(24(26)27)4-6-18(19)21/h3-6,11-13H,7-10H2,1-2H3,(H,22,25)