N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-nitro-4-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=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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