1-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]urea

Systemtic Name: 1-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]urea Openeye Name: [3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]urea CAS Name: [3-[(E)-(1-methyl-2-azepanylidene)amino]sulfonylphenyl]urea IUPAC Name: [3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]urea Traditional Name: [3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]urea Formula: C14H20N4O3S MolecularWeight: 324.3986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1=NS(=O)(=O)C2=CC=CC(=C2)NC(=O)N

Isomeric SMILES

CN\1CCCCC/C1=N\S(=O)(=O)C2=CC=CC(=C2)NC(=O)N

InChI

InChI=1S/C14H20N4O3S/c1-18-9-4-2-3-8-13(18)17-22(20,21)12-7-5-6-11(10-12)16-14(15)19/h5-7,10H,2-4,8-9H2,1H3,(H3,15,16,19)/b17-13+