N-[3-(propan-2-ylcarbamoylamino)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(propan-2-ylcarbamoylamino)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(isopropylcarbamoylamino)phenyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(propan-2-ylcarbamoylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(isopropylcarbamoylamino)phenyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O4S2/c1-14(2)21-20(26)23-17-6-3-5-16(13-17)22-19(25)15-8-10-24(11-9-15)30(27,28)18-7-4-12-29-18/h3-7,12-15H,8-11H2,1-2H3,(H,22,25)(H2,21,23,26)