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

Systemtic Name: 4-chloranyl-N-(2-methyl-3-nitro-phenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: 4-chloro-N-(2-methyl-3-nitro-phenyl)-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzamide CAS Name: 4-chloro-N-(2-methyl-3-nitrophenyl)-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: 4-chloro-N-(2-methyl-3-nitrophenyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide Traditional Name: 4-chloro-N-(2-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=C(C(=CC=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O5S/c1-13-5-4-10-23(12-13)30(28,29)19-11-15(8-9-16(19)21)20(25)22-17-6-3-7-18(14(17)2)24(26)27/h3,6-9,11,13H,4-5,10,12H2,1-2H3,(H,22,25)/t13-/m0/s1