1-[1-(2-bromophenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-[1-(2-bromophenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-[1-(2-bromophenyl)ethyl]-3-[[4-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-[1-(2-bromophenyl)ethyl]-3-[[4-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-[1-(2-bromophenyl)ethyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-[1-(2-bromophenyl)ethyl]-3-(4-piperidinosulfonylbenzyl)urea Formula: C21H26BrN3O3S MolecularWeight: 480.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26BrN3O3S/c1-16(19-7-3-4-8-20(19)22)24-21(26)23-15-17-9-11-18(12-10-17)29(27,28)25-13-5-2-6-14-25/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H2,23,24,26)