N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-(2-oxolanylmethyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-mesyl-3-nitro-N-(tetrahydrofurfuryl)benzamide Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S2/c1-31(27,28)18-9-8-13(11-16(18)23(25)26)19(24)22(12-14-5-4-10-29-14)20-21-15-6-2-3-7-17(15)30-20/h2-3,6-9,11,14H,4-5,10,12H2,1H3