1-methyl-4-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(2-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(2-methyl-3-nitro-benzoyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(2-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(2-methyl-3-nitrobenzoyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(2-methyl-3-nitro-benzoyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C18H21N5O6S MolecularWeight: 435.45424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C18H21N5O6S/c1-12-14(4-3-5-15(12)23(26)27)18(25)21-6-8-22(9-7-21)30(28,29)13-10-16(17(19)24)20(2)11-13/h3-5,10-11H,6-9H2,1-2H3,(H2,19,24)