3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-(3-nitrophenyl)carbonyl-benzohydrazide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N'-(3-nitrophenyl)carbonyl-benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(3-nitrobenzoyl)benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N'-[(3-nitrophenyl)-oxomethyl]benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(3-nitrobenzoyl)benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N'-(3-nitrobenzoyl)benzohydrazide Formula: C20H21ClN4O6S MolecularWeight: 480.92194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O6S/c21-17-9-8-15(13-18(17)32(30,31)24-10-3-1-2-4-11-24)20(27)23-22-19(26)14-6-5-7-16(12-14)25(28)29/h5-9,12-13H,1-4,10-11H2,(H,22,26)(H,23,27)