1-[(2-methoxy-5-methyl-phenyl)methyl]-1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-[(2-methoxy-5-methyl-phenyl)methyl]-1-methyl-3-[[4-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[[4-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-(2-methoxy-5-methyl-benzyl)-1-methyl-3-(4-piperidinosulfonylbenzyl)urea Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S/c1-18-7-12-22(30-3)20(15-18)17-25(2)23(27)24-16-19-8-10-21(11-9-19)31(28,29)26-13-5-4-6-14-26/h7-12,15H,4-6,13-14,16-17H2,1-3H3,(H,24,27)