7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]chromen-2-one CAS Name: 7-methyl-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]coumarin Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C24H26N2O7S/c1-15(2)19-13-20-17(11-24(27)33-23(20)10-16(19)3)14-32-22-7-6-18(12-21(22)26(28)29)34(30,31)25-8-4-5-9-25/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3