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

Systemtic Name: 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[[2-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[[2-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-[(1S)-1-(2-bromophenyl)ethyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-[(1S)-1-(2-bromophenyl)ethyl]-3-(2-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=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Br)NC(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26BrN3O3S/c1-16(18-10-4-5-11-19(18)22)24-21(26)23-15-17-9-3-6-12-20(17)29(27,28)25-13-7-2-8-14-25/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H2,23,24,26)/t16-/m0/s1