4-chloranyl-N-[5-(1,4-diazepan-1-yl)-2-nitro-phenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[5-(1,4-diazepan-1-yl)-2-nitro-phenyl]benzenesulfonamide Openeye Name: 4-chloro-N-[5-(1,4-diazepan-1-yl)-2-nitro-phenyl]benzenesulfonamide CAS Name: 4-chloro-N-[5-(1,4-diazepan-1-yl)-2-nitrophenyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[5-(1,4-diazepan-1-yl)-2-nitrophenyl]benzenesulfonamide Traditional Name: 4-chloro-N-[5-(1,4-diazepan-1-yl)-2-nitro-phenyl]benzenesulfonamide Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CNCCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O4S/c18-13-2-5-15(6-3-13)27(25,26)20-16-12-14(4-7-17(16)22(23)24)21-10-1-8-19-9-11-21/h2-7,12,19-20H,1,8-11H2