4-hexyl-N-(1-oxidanylidene-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-thiophen-2-ylsulfonyl-piperazine-2-carboxamide

Systemtic Name: 4-hexyl-N-(1-oxidanylidene-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: 4-hexyl-N-(1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: 4-hexyl-N-(1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: 4-hexyl-N-(1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: 4-hexyl-N-(1-keto-2,3,4,9-tetrahydro-$b-carbolin-6-yl)-1-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C26H33N5O4S2 MolecularWeight: 543.70132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)NC4=C3CCNC4=O)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCCCCCN1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)NC4=C3CCNC4=O)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H33N5O4S2/c1-2-3-4-5-12-30-13-14-31(37(34,35)23-7-6-15-36-23)22(17-30)25(32)28-18-8-9-21-20(16-18)19-10-11-27-26(33)24(19)29-21/h6-9,15-16,22,29H,2-5,10-14,17H2,1H3,(H,27,33)(H,28,32)