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

Systemtic Name: 4-chloranyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-(3-methylpiperidino)sulfonylphenyl]-3-nitro-benzenesulfonamide Formula: C18H20ClN3O6S2 MolecularWeight: 473.9509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O6S2/c1-13-3-2-10-21(12-13)30(27,28)15-6-4-14(5-7-15)20-29(25,26)16-8-9-17(19)18(11-16)22(23)24/h4-9,11,13,20H,2-3,10,12H2,1H3