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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodanyl-1H-pyrazole-5-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodo-1H-pyrazole-5-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-iodo-1H-pyrazole-5-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodo-1H-pyrazole-5-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-iodo-1H-pyrazole-5-carboxamide Formula: C16H19IN4O3S MolecularWeight: 474.31653

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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)I

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=NN3)I

InChI

InChI=1S/C16H19IN4O3S/c17-14-11-18-20-15(14)16(22)19-12-5-7-13(8-6-12)25(23,24)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10H2,(H,18,20)(H,19,22)