N-[[5-[4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

Systemtic Name: N-[[5-[4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: N-[[5-[4-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]piperazin-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: N-[[5-[[4-[2-[[[(2-methyl-4-quinolinyl)amino]-oxomethyl]amino]ethyl]-1-piperazinyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: N-[[5-[4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: N-[[5-[4-[2-[(2-methyl-4-quinolyl)carbamoylamino]ethyl]piperazino]sulfonyl-2-thienyl]methyl]benzamide Formula: C29H32N6O4S2 MolecularWeight: 592.73218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)CNC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)C4=CC=C(S4)CNC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H32N6O4S2/c1-21-19-26(24-9-5-6-10-25(24)32-21)33-29(37)30-13-14-34-15-17-35(18-16-34)41(38,39)27-12-11-23(40-27)20-31-28(36)22-7-3-2-4-8-22/h2-12,19H,13-18,20H2,1H3,(H,31,36)(H2,30,32,33,37)