3-chloranyl-N-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 3-chloro-N-[3-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 3-chloro-N-[3-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 3-chloro-N-[3-keto-3-[4-(6-nitro-3-pyridyl)piperazino]propyl]benzenesulfonamide Formula: C18H20ClN5O5S MolecularWeight: 453.8999

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClN5O5S/c19-14-2-1-3-16(12-14)30(28,29)21-7-6-18(25)23-10-8-22(9-11-23)15-4-5-17(20-13-15)24(26)27/h1-5,12-13,21H,6-11H2