1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-(1-phenylethyl)-3-[[4-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-(1-phenylethyl)-3-[[4-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-(1-phenylethyl)-3-(4-piperidinosulfonylbenzyl)urea Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17(19-8-4-2-5-9-19)23-21(25)22-16-18-10-12-20(13-11-18)28(26,27)24-14-6-3-7-15-24/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3,(H2,22,23,25)