N-[4-(prop-2-enylcarbamoylamino)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(prop-2-enylcarbamoylamino)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(prop-2-enylcarbamoylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O4S2/c1-2-11-21-20(26)23-17-9-7-16(8-10-17)22-19(25)15-5-3-12-24(14-15)30(27,28)18-6-4-13-29-18/h2,4,6-10,13,15H,1,3,5,11-12,14H2,(H,22,25)(H2,21,23,26)