2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]thiophene-3-carboxamide Formula: C17H18N4O7S2 MolecularWeight: 454.47742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=C(C=CS3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NC3=C(C=CS3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O7S2/c18-16(23)12-5-8-29-17(12)19-15(22)10-28-14-4-3-11(9-13(14)21(24)25)30(26,27)20-6-1-2-7-20/h3-5,8-9H,1-2,6-7,10H2,(H2,18,23)(H,19,22)