N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitrophenyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitrophenyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-nitro-phenyl]-4-pyrrolidinosulfonyl-benzamide Formula: C24H20N4O5S2 MolecularWeight: 508.5694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5S2/c29-23(16-7-10-18(11-8-16)35(32,33)27-13-3-4-14-27)25-19-12-9-17(15-21(19)28(30)31)24-26-20-5-1-2-6-22(20)34-24/h1-2,5-12,15H,3-4,13-14H2,(H,25,29)