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

Systemtic Name: 4-chloranyl-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-nitro-phenyl]benzenesulfonamide Openeye Name: 4-chloro-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-nitro-phenyl]benzenesulfonamide CAS Name: 4-chloro-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-nitrophenyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-nitrophenyl]benzenesulfonamide Traditional Name: 4-chloro-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-nitro-phenyl]benzenesulfonamide Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O4S/c1-21-9-2-10-22(12-11-21)15-5-8-18(23(24)25)17(13-15)20-28(26,27)16-6-3-14(19)4-7-16/h3-8,13,20H,2,9-12H2,1H3