N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-5-nitro-2-pyrrolidino-benzamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C19H18N4O5S2/c1-30(27,28)13-5-6-15-17(11-13)29-19(20-15)21-18(24)14-10-12(23(25)26)4-7-16(14)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,21,24)