N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S/c22-16(15-14(21(23)24)11-17-19-15)18-12-5-7-13(8-6-12)27(25,26)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10H2,(H,17,19)(H,18,22)