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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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