[[4-[2-(methylcarbamoylsulfonylamino)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methylamino] 3-methylbutanoate

Systemtic Name: [[4-[2-(methylcarbamoylsulfonylamino)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methylamino] 3-methylbutanoate Openeye Name: [[4-[5-isobutyl-2-(methylcarbamoylsulfonylamino)-3-thienyl]phenyl]methylamino] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [[4-[2-(methylcarbamoylsulfonylamino)-5-(2-methylpropyl)-3-thiophenyl]phenyl]methylamino] ester IUPAC Name: [[4-[2-(methylcarbamoylsulfonylamino)-5-(2-methylpropyl)thiophen-3-yl]phenyl]methylamino] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [[4-[5-isobutyl-2-(methylcarbamoylsulfonylamino)-3-thienyl]benzyl]amino] ester Formula: C22H31N3O5S2 MolecularWeight: 481.62864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(S1)NS(=O)(=O)C(=O)NC)C2=CC=C(C=C2)CNOC(=O)CC(C)C

Isomeric SMILES

CC(C)CC1=CC(=C(S1)NS(=O)(=O)C(=O)NC)C2=CC=C(C=C2)CNOC(=O)CC(C)C

InChI

InChI=1S/C22H31N3O5S2/c1-14(2)10-18-12-19(21(31-18)25-32(28,29)22(27)23-5)17-8-6-16(7-9-17)13-24-30-20(26)11-15(3)4/h6-9,12,14-15,24-25H,10-11,13H2,1-5H3,(H,23,27)