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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-[(4-chloro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-[(4-chloropyrazol-1-yl)methyl]-2-furamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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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)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)CN4C=C(C=N4)Cl

InChI

InChI=1S/C21H23ClN4O4S/c22-16-13-23-25(14-16)15-18-7-10-20(30-18)21(27)24-17-5-8-19(9-6-17)31(28,29)26-11-3-1-2-4-12-26/h5-10,13-14H,1-4,11-12,15H2,(H,24,27)