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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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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-])C

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-])C

InChI

InChI=1S/C21H22N4O5S2/c1-13-3-6-17-18(11-13)31-21(22-17)23-20(26)15-7-9-24(10-8-15)32(29,30)19-12-16(25(27)28)5-4-14(19)2/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23,26)