N-(butylcarbamoyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]acetamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

Isomeric SMILES

CCCCNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

InChI

InChI=1S/C21H29N5O4S/c1-3-4-8-22-21(28)24-19(27)15-25-9-11-26(12-10-25)31(29,30)18-7-5-6-17-13-16(2)14-23-20(17)18/h5-7,13-14H,3-4,8-12,15H2,1-2H3,(H2,22,24,27,28)