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

Systemtic Name: 1-[(2-methylphenyl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-(o-tolylmethyl)-3-[[4-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-[(2-methylphenyl)methyl]-3-[[4-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-[(2-methylphenyl)methyl]-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-(2-methylbenzyl)-3-(4-piperidinosulfonylbenzyl)urea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-17-7-3-4-8-19(17)16-23-21(25)22-15-18-9-11-20(12-10-18)28(26,27)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-16H2,1H3,(H2,22,23,25)