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

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)carbonyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-(4-chloro-3-nitro-benzoyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-(4-chloro-3-nitrobenzoyl)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-(4-chloro-3-nitro-benzoyl)-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C25H19ClN4O6S2 MolecularWeight: 571.02456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=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

C1CCN(C1)S(=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/C25H19ClN4O6S2/c26-19-9-7-15(13-21(19)30(33)34)23(31)17-5-1-2-6-18(17)24(32)28-25-27-20-10-8-16(14-22(20)37-25)38(35,36)29-11-3-4-12-29/h1-2,5-10,13-14H,3-4,11-12H2,(H,27,28,32)