2-methyl-3-nitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-methyl-3-nitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-methyl-3-nitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-methyl-3-nitro-N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-methyl-3-nitro-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-methyl-3-nitro-N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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