[1-[4-(3-thiophen-2-ylpropylcarbamoylamino)phenyl]sulfonylpiperidin-4-yl]methylcarbamic acid

Systemtic Name: [1-[4-(3-thiophen-2-ylpropylcarbamoylamino)phenyl]sulfonylpiperidin-4-yl]methylcarbamic acid Openeye Name: [1-[4-[3-(2-thienyl)propylcarbamoylamino]phenyl]sulfonyl-4-piperidyl]methylcarbamic acid CAS Name: [1-[4-[[oxo-(3-thiophen-2-ylpropylamino)methyl]amino]phenyl]sulfonyl-4-piperidinyl]methylcarbamic acid IUPAC Name: [1-[4-(3-thiophen-2-ylpropylcarbamoylamino)phenyl]sulfonylpiperidin-4-yl]methylcarbamic acid Traditional Name: [1-[4-[3-(2-thienyl)propylcarbamoylamino]phenyl]sulfonyl-4-piperidyl]methylcarbamic acid Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCCCC3=CC=CS3

Isomeric SMILES

C1CN(CCC1CNC(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCCCC3=CC=CS3

InChI

InChI=1S/C21H28N4O5S2/c26-20(22-11-1-3-18-4-2-14-31-18)24-17-5-7-19(8-6-17)32(29,30)25-12-9-16(10-13-25)15-23-21(27)28/h2,4-8,14,16,23H,1,3,9-13,15H2,(H,27,28)(H2,22,24,26)