N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-methyl-4-nitro-2-pyrrolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-nitropyrrole-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-20-13-15(22(24)25)12-17(20)18(23)19-14-6-8-16(9-7-14)28(26,27)21-10-4-2-3-5-11-21/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,23)