N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-[(4-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-nitropyrazol-1-yl)methyl]-2-furamide Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6S/c27-21(20-10-7-18(32-20)15-24-14-17(13-22-24)26(28)29)23-16-5-8-19(9-6-16)33(30,31)25-11-3-1-2-4-12-25/h5-10,13-14H,1-4,11-12,15H2,(H,23,27)