N-(4-piperidin-1-ylsulfonylphenyl)-2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide Openeye Name: N-[4-(1-piperidylsulfonyl)phenyl]-2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide CAS Name: N-[4-(1-piperidinylsulfonyl)phenyl]-2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide IUPAC Name: N-(4-piperidin-1-ylsulfonylphenyl)-2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide Traditional Name: N-(4-piperidinosulfonylphenyl)-2-[(4,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide Formula: C26H29N5O3S2 MolecularWeight: 523.67016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C3=NN=C(N23)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)C)C

InChI

InChI=1S/C26H29N5O3S2/c1-17-13-18(2)24-20(14-17)15-19(3)25-28-29-26(31(24)25)35-16-23(32)27-21-7-9-22(10-8-21)36(33,34)30-11-5-4-6-12-30/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,27,32)