4-(azepan-1-ylsulfonyl)-N'-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]benzohydrazide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N'-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]benzohydrazide Openeye Name: 4-(azepan-1-ylsulfonyl)-N'-[(E)-3-(5-nitro-2-thienyl)prop-2-enoyl]benzohydrazide CAS Name: 4-(1-azepanylsulfonyl)-N'-[(E)-3-(5-nitro-2-thiophenyl)-1-oxoprop-2-enyl]benzohydrazide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N'-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]benzohydrazide Traditional Name: 4-(azepan-1-ylsulfonyl)-N'-[(E)-3-(5-nitro-2-thienyl)acryloyl]benzohydrazide Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S2/c25-18(11-7-16-8-12-19(31-16)24(27)28)21-22-20(26)15-5-9-17(10-6-15)32(29,30)23-13-3-1-2-4-14-23/h5-12H,1-4,13-14H2,(H,21,25)(H,22,26)/b11-7+