6-chloranyl-7-methyl-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C25H24ClN2O4S+ MolecularWeight: 483.98706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)Cl

InChI

InChI=1S/C25H23ClN2O4S/c1-17-12-24-22(15-23(17)26)20(14-25(29)32-24)16-27-8-10-28(11-9-27)33(30,31)21-7-6-18-4-2-3-5-19(18)13-21/h2-7,12-15H,8-11,16H2,1H3/p+1