N-[1-[ethyl-[3-(4-phenylbutyl)-2-sulfamoyl-oxiran-2-yl]amino]-3-methyl-3-methylsulfonyl-1-oxidanylidene-butan-2-yl]-N-propan-2-yl-quinoline-2-carboxamide

Systemtic Name: N-[1-[ethyl-[3-(4-phenylbutyl)-2-sulfamoyl-oxiran-2-yl]amino]-3-methyl-3-methylsulfonyl-1-oxidanylidene-butan-2-yl]-N-propan-2-yl-quinoline-2-carboxamide Openeye Name: N-[1-[ethyl-[3-(4-phenylbutyl)-2-sulfamoyl-oxiran-2-yl]carbamoyl]-2-methyl-2-methylsulfonyl-propyl]-N-isopropyl-quinoline-2-carboxamide CAS Name: N-[1-[ethyl-[3-(4-phenylbutyl)-2-sulfamoyl-2-oxiranyl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]-N-propan-2-yl-2-quinolinecarboxamide IUPAC Name: N-[1-[ethyl-[3-(4-phenylbutyl)-2-sulfamoyloxiran-2-yl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]-N-propan-2-ylquinoline-2-carboxamide Traditional Name: N-[1-[ethyl-[3-(4-phenylbutyl)-2-sulfamoyl-oxiran-2-yl]carbamoyl]-2-mesyl-2-methyl-propyl]-N-isopropyl-quinaldamide Formula: C33H44N4O7S2 MolecularWeight: 672.85506

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C(C(C)(C)S(=O)(=O)C)N(C(C)C)C(=O)C1=NC2=CC=CC=C2C=C1)C3(C(O3)CCCCC4=CC=CC=C4)S(=O)(=O)N

Isomeric SMILES

CCN(C(=O)C(C(C)(C)S(=O)(=O)C)N(C(C)C)C(=O)C1=NC2=CC=CC=C2C=C1)C3(C(O3)CCCCC4=CC=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C33H44N4O7S2/c1-7-36(33(46(34,42)43)28(44-33)20-14-11-17-24-15-9-8-10-16-24)31(39)29(32(4,5)45(6,40)41)37(23(2)3)30(38)27-22-21-25-18-12-13-19-26(25)35-27/h8-10,12-13,15-16,18-19,21-23,28-29H,7,11,14,17,20H2,1-6H3,(H2,34,42,43)