1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C20H19ClN4O5S2 MolecularWeight: 494.97166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O5S2/c1-12-2-5-16-17(10-12)31-20(22-16)23-19(26)13-6-8-24(9-7-13)32(29,30)18-11-14(25(27)28)3-4-15(18)21/h2-5,10-11,13H,6-9H2,1H3,(H,22,23,26)