N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C21H22N4O7S2 MolecularWeight: 506.55198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=C(C=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O7S2/c1-31-15-3-5-16(6-4-15)34(29,30)24-9-7-13(8-10-24)20(26)23-21-22-19-17(32-2)11-14(25(27)28)12-18(19)33-21/h3-6,11-13H,7-10H2,1-2H3,(H,22,23,26)