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

Systemtic Name: N-(butylcarbamoyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(butylcarbamoyl)-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]propanamide IUPAC Name: N-(butylcarbamoyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(butylcarbamoyl)-2-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]propionamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=CN=C32)C

InChI

InChI=1S/C22H31N5O4S/c1-4-5-9-23-22(29)25-21(28)17(3)26-10-12-27(13-11-26)32(30,31)19-8-6-7-18-14-16(2)15-24-20(18)19/h6-8,14-15,17H,4-5,9-13H2,1-3H3,(H2,23,25,28,29)