1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)cyclopentanecarboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-cyclopentanecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-tosyl-cyclopentanecarboxamide Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S2/c1-13-4-7-15(8-5-13)30(27,28)20(10-2-3-11-20)18(24)22-19-21-16-9-6-14(23(25)26)12-17(16)29-19/h4-9,12H,2-3,10-11H2,1H3,(H,21,22,24)