4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[[(2S)-2-ethyl-1-piperidinyl]sulfonyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[(2S)-2-ethylpiperidino]sulfonyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O5S2/c1-3-16-6-4-5-13-25(16)33(30,31)18-10-7-15(8-11-18)21(27)23-22-24(2)19-12-9-17(26(28)29)14-20(19)32-22/h7-12,14,16H,3-6,13H2,1-2H3/t16-/m0/s1