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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-5-7-18(8-6-17)15-22-21(25)23-16-19-9-11-20(12-10-19)28(26,27)24-13-3-2-4-14-24/h5-12H,2-4,13-16H2,1H3,(H2,22,23,25)