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

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide Openeye Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide CAS Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)pyrrolidine-2-carboxamide Formula: C21H17ClN4O5S2 MolecularWeight: 504.96648

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O5S2/c1-2-11-24-18-13-15(26(28)29)7-10-19(18)32-21(24)23-20(27)17-4-3-12-25(17)33(30,31)16-8-5-14(22)6-9-16/h1,5-10,13,17H,3-4,11-12H2