N-[(4-ethylphenyl)methyl]-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: N-[(4-ethylphenyl)methyl]-4-nitro-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: N-[(4-ethylphenyl)methyl]-4-nitro-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-[(4-ethylphenyl)methyl]-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: N-(4-ethylbenzyl)-4-nitro-N-(3-pyridylmethyl)benzenesulfonamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-2-17-5-7-18(8-6-17)15-23(16-19-4-3-13-22-14-19)29(27,28)21-11-9-20(10-12-21)24(25)26/h3-14H,2,15-16H2,1H3