4-[(2Z)-2-[[4-(azepan-1-yl)phenyl]methylidene]hydrazinyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2Z)-2-[[4-(azepan-1-yl)phenyl]methylidene]hydrazinyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2Z)-2-[[4-(azepan-1-yl)phenyl]methylene]hydrazino]-3-nitro-benzenesulfonamide CAS Name: 4-[(2Z)-2-[[4-(1-azepanyl)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2Z)-2-[[4-(azepan-1-yl)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(N'Z)-N'-[4-(azepan-1-yl)benzylidene]hydrazino]-3-nitro-benzenesulfonamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=NNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=N\NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4S/c20-29(27,28)17-9-10-18(19(13-17)24(25)26)22-21-14-15-5-7-16(8-6-15)23-11-3-1-2-4-12-23/h5-10,13-14,22H,1-4,11-12H2,(H2,20,27,28)/b21-14-