4-chloranyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-(4-methyl-1-piperidyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-(4-methyl-1-piperidinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-(4-methylpiperidino)phenyl]-3-nitro-benzenesulfonamide Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S/c1-13-8-10-21(11-9-13)15-4-2-14(3-5-15)20-27(25,26)16-6-7-17(19)18(12-16)22(23)24/h2-7,12-13,20H,8-11H2,1H3