4-chloranyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-chloro-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-chloro-N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-chloro-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C18H15ClN4O6S2 MolecularWeight: 482.9179

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O6S2/c19-13-3-1-11(9-15(13)23(25)26)17(24)21-18-20-14-4-2-12(10-16(14)30-18)31(27,28)22-5-7-29-8-6-22/h1-4,9-10H,5-8H2,(H,20,21,24)