4-[[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[2-(dimethylamino)-5-(1-piperidylsulfonyl)anilino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[2-(dimethylamino)-5-(1-piperidinylsulfonyl)anilino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[2-(dimethylamino)-5-piperidinosulfonyl-anilino]methyl]-7,8-dimethyl-coumarin Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N(C)C)C

InChI

InChI=1S/C25H31N3O4S/c1-17-8-10-21-19(14-24(29)32-25(21)18(17)2)16-26-22-15-20(9-11-23(22)27(3)4)33(30,31)28-12-6-5-7-13-28/h8-11,14-15,26H,5-7,12-13,16H2,1-4H3