N-[8-morpholin-4-ylsulfonyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[8-morpholin-4-ylsulfonyl-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]cyclohexanecarboxamide Openeye Name: N-(5-benzyl-8-morpholinosulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide CAS Name: N-[8-(4-morpholinylsulfonyl)-5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]cyclohexanecarboxamide IUPAC Name: N-(5-benzyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)cyclohexanecarboxamide Traditional Name: N-(5-benzyl-8-morpholinosulfonyl-[1,2,4]triazin[5,6-b]indol-3-yl)cyclohexanecarboxamide Formula: C27H30N6O4S MolecularWeight: 534.6299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(C4=C(N3CC5=CC=CC=C5)C=CC(=C4)S(=O)(=O)N6CCOCC6)N=N2

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(C4=C(N3CC5=CC=CC=C5)C=CC(=C4)S(=O)(=O)N6CCOCC6)N=N2

InChI

InChI=1S/C27H30N6O4S/c34-26(20-9-5-2-6-10-20)29-27-28-25-24(30-31-27)22-17-21(38(35,36)32-13-15-37-16-14-32)11-12-23(22)33(25)18-19-7-3-1-4-8-19/h1,3-4,7-8,11-12,17,20H,2,5-6,9-10,13-16,18H2,(H,28,29,31,34)