1-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]urea

Systemtic Name: 1-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]urea Openeye Name: 1-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]urea CAS Name: 1-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]urea IUPAC Name: 1-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-3-[(2,4,5-trimethoxyphenyl)methyl]urea Traditional Name: 1-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]-3-(2,4,5-trimethoxybenzyl)urea Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3)OC)OC

InChI

InChI=1S/C20H27N3O6S2/c1-27-16-11-18(29-3)17(28-2)10-14(16)12-21-20(24)22-13-15-6-7-19(30-15)31(25,26)23-8-4-5-9-23/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H2,21,22,24)