N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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