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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide Openeye Name: N-(3-allyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide Traditional Name: N-(3-allyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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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-])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5S2/c1-3-12-24-19-14-16(26(28)29)8-11-20(19)32-22(24)23-21(27)18-5-4-13-25(18)33(30,31)17-9-6-15(2)7-10-17/h3,6-11,14,18H,1,4-5,12-13H2,2H3