7-methyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methyl]coumarin Formula: C25H29N3O6S MolecularWeight: 499.57926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

InChI

InChI=1S/C25H29N3O6S/c1-16(2)21-14-22-19(12-25(29)34-23(22)11-18(21)4)15-26-7-9-27(10-8-26)35(32,33)24-13-20(28(30)31)6-5-17(24)3/h5-6,11-14,16H,7-10,15H2,1-4H3