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

Systemtic Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]benzohydrazide Openeye Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]benzohydrazide CAS Name: N'-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]benzohydrazide IUPAC Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]benzohydrazide Traditional Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]benzohydrazide Formula: C22H25N3O4S MolecularWeight: 427.5166

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c26-21(23-24-22(27)19-8-4-3-5-9-19)15-12-18-10-13-20(14-11-18)30(28,29)25-16-6-1-2-7-17-25/h3-5,8-15H,1-2,6-7,16-17H2,(H,23,26)(H,24,27)/b15-12+