N-[4-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5S/c1-14-10-15(2)13-23(12-14)21(25)17-5-7-18(8-6-17)22-30(28,29)19-9-4-16(3)20(11-19)24(26)27/h4-9,11,14-15,22H,10,12-13H2,1-3H3