N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide

Systemtic Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide Openeye Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide CAS Name: N'-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]-1H-pyrrole-2-carbohydrazide IUPAC Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]-1H-pyrrole-2-carbohydrazide Traditional Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]-1H-pyrrole-2-carbohydrazide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NNC(=O)C3=CC=CN3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NNC(=O)C3=CC=CN3

InChI

InChI=1S/C20H24N4O4S/c25-19(22-23-20(26)18-6-5-13-21-18)12-9-16-7-10-17(11-8-16)29(27,28)24-14-3-1-2-4-15-24/h5-13,21H,1-4,14-15H2,(H,22,25)(H,23,26)/b12-9+