7,8-dimethyl-4-[[(4-pyrrolidin-1-ylsulfonylphenyl)amino]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[(4-pyrrolidin-1-ylsulfonylphenyl)amino]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylanilino)methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-(1-pyrrolidinylsulfonyl)anilino]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylanilino)methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[(4-pyrrolidinosulfonylanilino)methyl]coumarin Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C22H24N2O4S/c1-15-5-10-20-17(13-21(25)28-22(20)16(15)2)14-23-18-6-8-19(9-7-18)29(26,27)24-11-3-4-12-24/h5-10,13,23H,3-4,11-12,14H2,1-2H3