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

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)carbonyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-(4-chloro-3-nitro-benzoyl)-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]-N-[6-(4-morpholinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-(4-chloro-3-nitrobenzoyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-(4-chloro-3-nitro-benzoyl)-N-(6-morpholinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C25H19ClN4O7S2 MolecularWeight: 587.02396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CC=C4C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC=CC=C4C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H19ClN4O7S2/c26-19-7-5-15(13-21(19)30(33)34)23(31)17-3-1-2-4-18(17)24(32)28-25-27-20-8-6-16(14-22(20)38-25)39(35,36)29-9-11-37-12-10-29/h1-8,13-14H,9-12H2,(H,27,28,32)