4-(butylsulfonylmethyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide

Systemtic Name: 4-(butylsulfonylmethyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Openeye Name: 4-(butylsulfonylmethyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)-7-quinolyl]benzamide CAS Name: 4-(butylsulfonylmethyl)-N-[8-methyl-3-(1-pyrrolidinylmethyl)-7-quinolinyl]benzamide IUPAC Name: 4-(butylsulfonylmethyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide Traditional Name: 4-(butylsulfonylmethyl)-N-[8-methyl-3-(pyrrolidinomethyl)-7-quinolyl]benzamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC2=C(C3=NC=C(C=C3C=C2)CN4CCCC4)C

Isomeric SMILES

CCCCS(=O)(=O)CC1=CC=C(C=C1)C(=O)NC2=C(C3=NC=C(C=C3C=C2)CN4CCCC4)C

InChI

InChI=1S/C27H33N3O3S/c1-3-4-15-34(32,33)19-21-7-9-23(10-8-21)27(31)29-25-12-11-24-16-22(17-28-26(24)20(25)2)18-30-13-5-6-14-30/h7-12,16-17H,3-6,13-15,18-19H2,1-2H3,(H,29,31)