N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitro-benzamide Openeye Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide CAS Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide Traditional Name: N-(4-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-3,5-dinitro-benzamide Formula: C21H21N5O8S2 MolecularWeight: 535.55014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O8S2/c1-36(32,33)18-4-2-3-17-19(18)22-21(35-17)24(6-5-23-7-9-34-10-8-23)20(27)14-11-15(25(28)29)13-16(12-14)26(30)31/h2-4,11-13H,5-10H2,1H3