N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O5S2/c1-13-5-8-15(9-6-13)31(28,29)23-11-3-4-16(23)19(25)21-20-22(2)17-12-14(24(26)27)7-10-18(17)30-20/h5-10,12,16H,3-4,11H2,1-2H3