2-methyl-5-nitro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[[4-(1-piperidylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[[4-(1-piperidinylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[4-(piperidinomethyl)benzyl]benzenesulfonamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-16-5-10-19(23(24)25)13-20(16)28(26,27)21-14-17-6-8-18(9-7-17)15-22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12,14-15H2,1H3