N-butyl-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-butyl-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-butyl-4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-butyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-butyl-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-butyl-4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)CN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)CN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H28N2O3S/c1-5-6-13-22-21(24)19-10-8-18(9-11-19)15-23(27(4,25)26)20-12-7-16(2)17(3)14-20/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24)