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

Systemtic Name: 4-heptyl-N-(1-oxidanylidene-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-thiophen-2-ylsulfonyl-piperazine-2-carboxamide Openeye Name: 4-heptyl-N-(1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-(2-thienylsulfonyl)piperazine-2-carboxamide CAS Name: 4-heptyl-N-(1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-thiophen-2-ylsulfonyl-2-piperazinecarboxamide IUPAC Name: 4-heptyl-N-(1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-6-yl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxamide Traditional Name: 4-heptyl-N-(1-keto-2,3,4,9-tetrahydro-$b-carbolin-6-yl)-1-(2-thienylsulfonyl)piperazine-2-carboxamide Formula: C27H35N5O4S2 MolecularWeight: 557.7279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)NC4=C3CCNC4=O)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCCCCCCN1CCN(C(C1)C(=O)NC2=CC3=C(C=C2)NC4=C3CCNC4=O)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C27H35N5O4S2/c1-2-3-4-5-6-13-31-14-15-32(38(35,36)24-8-7-16-37-24)23(18-31)26(33)29-19-9-10-22-21(17-19)20-11-12-28-27(34)25(20)30-22/h7-10,16-17,23,30H,2-6,11-15,18H2,1H3,(H,28,34)(H,29,33)