1-(4-octylsulfonylphenyl)-3-(phenylmethyl)urea

Systemtic Name: 1-(4-octylsulfonylphenyl)-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(4-octylsulfonylphenyl)urea CAS Name: 1-(4-octylsulfonylphenyl)-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(4-octylsulfonylphenyl)urea Traditional Name: 1-benzyl-3-(4-octylsulfonylphenyl)urea Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O3S/c1-2-3-4-5-6-10-17-28(26,27)21-15-13-20(14-16-21)24-22(25)23-18-19-11-8-7-9-12-19/h7-9,11-16H,2-6,10,17-18H2,1H3,(H2,23,24,25)