1-methyl-4-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(5-nitrobenzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(5-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(5-nitrobenzothiophene-2-carbonyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C19H19N5O6S2 MolecularWeight: 477.51406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S2/c1-21-11-14(10-15(21)18(20)25)32(29,30)23-6-4-22(5-7-23)19(26)17-9-12-8-13(24(27)28)2-3-16(12)31-17/h2-3,8-11H,4-7H2,1H3,(H2,20,25)