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

Systemtic Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]adamantane-1-carbohydrazide Openeye Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]adamantane-1-carbohydrazide CAS Name: N'-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]adamantane-1-carbohydrazide Traditional Name: N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]adamantane-1-carbohydrazide Formula: C26H35N3O4S MolecularWeight: 485.6388

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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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O4S/c30-24(27-28-25(31)26-16-20-13-21(17-26)15-22(14-20)18-26)10-7-19-5-8-23(9-6-19)34(32,33)29-11-3-1-2-4-12-29/h5-10,20-22H,1-4,11-18H2,(H,27,30)(H,28,31)/b10-7+