1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5-oxidanylidene-pentyl]urea

Systemtic Name: 1-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5-oxidanylidene-pentyl]urea Openeye Name: [5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-5-oxo-pentyl]urea CAS Name: [5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-5-oxopentyl]urea IUPAC Name: [5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-5-oxopentyl]urea Traditional Name: [5-keto-5-[4-(2-naphthylsulfonyl)piperazino]pentyl]urea Formula: C20H26N4O4S MolecularWeight: 418.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCCNC(=O)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CN(CCN1C(=O)CCCCNC(=O)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H26N4O4S/c21-20(26)22-10-4-3-7-19(25)23-11-13-24(14-12-23)29(27,28)18-9-8-16-5-1-2-6-17(16)15-18/h1-2,5-6,8-9,15H,3-4,7,10-14H2,(H3,21,22,26)