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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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